N-propan-2-ylpyridin-3-amine;N-propan-2-ylpyrimidin-2-amine;N-propan-2-ylpyrimidin-5-amine;N-(pyrazin-2-ylmethyl)propan-2-amine;N-(pyridin-2-ylmethyl)propan-2-amine;N-(1,3-thiazol-2-ylmethyl)propan-2-amine

C46H73N15S — CID 158165236

IUPACN-propan-2-ylpyridin-3-amine;N-propan-2-ylpyrimidin-2-amine;N-propan-2-ylpyrimidin-5-amine;N-(pyrazin-2-ylmethyl)propan-2-amine;N-(pyridin-2-ylmethyl)propan-2-amine;N-(1,3-thiazol-2-ylmethyl)propan-2-amine
SMILESCC(C)NCc1ccccn1.CC(C)NCc1cnccn1.CC(C)NCc1nccs1.CC(C)Nc1cccnc1.CC(C)Nc1cncnc1.CC(C)Nc1ncccn1
InChIInChI=1S/C9H14N2.C8H13N3.C8H12N2.2C7H11N3.C7H12N2S/c1-8(2)11-7-9-5-3-4-6-10-9;1-7(2)11-6-8-5-9-3-4-10-8;1-7(2)10-8-4-3-5-9-6-8;1-6(2)10-7-3-8-5-9-4-7;1-6(2)10-7-8-4-3-5-9-7;1-6(2)9-5-7-8-3-4-10-7/h3-6,8,11H,7H2,1-2H3;3-5,7,11H,6H2,1-2H3;3-7,10H,1-2H3;3-6,10H,1-2H3;3-6H,1-2H3,(H,8,9,10);3-4,6,9H,5H2,1-2H3
InChIKeyFWTJDZRXLAMTEY-UHFFFAOYSA-N
MW868.26 g/mol
LogP8.69
Rot. Bonds15

About N-propan-2-ylpyridin-3-amine;N-propan-2-ylpyrimidin-2-amine;N-propan-2-ylpyrimidin-5-amine;N-(pyrazin-2-ylmethyl)propan-2-amine;N-(pyridin-2-ylmethyl)propan-2-amine;N-(1,3-thiazol-2-ylmethyl)propan-2-amine

N-propan-2-ylpyridin-3-amine;N-propan-2-ylpyrimidin-2-amine;N-propan-2-ylpyrimidin-5-amine;N-(pyrazin-2-ylmethyl)propan-2-amine;N-(pyridin-2-ylmethyl)propan-2-amine;N-(1,3-thiazol-2-ylmethyl)propan-2-amine (PubChem CID 158165236) has the molecular formula C46H73N15S and a molecular weight of 868.26 g/mol. Its IUPAC name is N-propan-2-ylpyridin-3-amine;N-propan-2-ylpyrimidin-2-amine;N-propan-2-ylpyrimidin-5-amine;N-(pyrazin-2-ylmethyl)propan-2-amine;N-(pyridin-2-ylmethyl)propan-2-amine;N-(1,3-thiazol-2-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-propan-2-ylpyridin-3-amine;N-propan-2-ylpyrimidin-2-amine;N-propan-2-ylpyrimidin-5-amine;N-(pyrazin-2-ylmethyl)propan-2-amine;N-(pyridin-2-ylmethyl)propan-2-amine;N-(1,3-thiazol-2-ylmethyl)propan-2-amine
PubChem CID158165236
Molecular FormulaC46H73N15S
Molecular Weight868.26 g/mol
Exact Mass867.59
IUPAC NameN-propan-2-ylpyridin-3-amine;N-propan-2-ylpyrimidin-2-amine;N-propan-2-ylpyrimidin-5-amine;N-(pyrazin-2-ylmethyl)propan-2-amine;N-(pyridin-2-ylmethyl)propan-2-amine;N-(1,3-thiazol-2-ylmethyl)propan-2-amine
SMILESCC(C)NCc1ccccn1.CC(C)NCc1cnccn1.CC(C)NCc1nccs1.CC(C)Nc1cccnc1.CC(C)Nc1cncnc1.CC(C)Nc1ncccn1
InChIInChI=1S/C9H14N2.C8H13N3.C8H12N2.2C7H11N3.C7H12N2S/c1-8(2)11-7-9-5-3-4-6-10-9;1-7(2)11-6-8-5-9-3-4-10-8;1-7(2)10-8-4-3-5-9-6-8;1-6(2)10-7-3-8-5-9-4-7;1-6(2)10-7-8-4-3-5-9-7;1-6(2)9-5-7-8-3-4-10-7/h3-6,8,11H,7H2,1-2H3;3-5,7,11H,6H2,1-2H3;3-7,10H,1-2H3;3-6,10H,1-2H3;3-6H,1-2H3,(H,8,9,10);3-4,6,9H,5H2,1-2H3
InChIKeyFWTJDZRXLAMTEY-UHFFFAOYSA-N
XLogP8.69
TPSA188.19 Ų
H-Bond Donors6
H-Bond Acceptors16
Rotatable Bonds15
Heavy Atoms62
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500868.26
LogP ≤ 58.69
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1016

Analyze N-propan-2-ylpyridin-3-amine;N-propan-2-ylpyrimidin-2-amine;N-propan-2-ylpyrimidin-5-amine;N-(pyrazin-2-ylmethyl)propan-2-amine;N-(pyridin-2-ylmethyl)propan-2-amine;N-(1,3-thiazol-2-ylmethyl)propan-2-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(1,3-thiazol-2-yl)imidazo[1,5-b]pyridazin-7-amine
CID 70982376
N-cyclopentyl-4-methyl-5-[2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 126534285
N-cyclopentyl-5-[2-[[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]amino]-5-fluoropyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine
CID 126534409
N-cyclopentyl-5-[2-[[5-(4-methylpiperazin-1-yl)pyridin-2-yl]amino]pyrimidin-4-yl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 126535157
N-cyclopentyl-5-[5-fluoro-2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine
CID 135296339
(S)-N2-(1-(5-fluoropyridin-2-yl)ethyl)-6-(4-methylpiperazin-1-yl)-N4-(5-methylthiazol-2-yl)pyrimidine-2,4-diamine
CID 25104740
4-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 73774844
5-(pyridin-2-ylmethyl)-4-N-(1,3-thiazol-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 118335005
N-cyclopentyl-5-[5-fluoro-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine
CID 126534479
4-methyl-5-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-N-phenyl-1,3-thiazol-2-amine
CID 126535094
N-cyclopentyl-N,4-dimethyl-5-[2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 126535129
4-methyl-N-phenyl-5-[2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 126535189

Frequently Asked Questions

What is the IUPAC name of N-propan-2-ylpyridin-3-amine;N-propan-2-ylpyrimidin-2-amine;N-propan-2-ylpyrimidin-5-amine;N-(pyrazin-2-ylmethyl)propan-2-amine;N-(pyridin-2-ylmethyl)propan-2-amine;N-(1,3-thiazol-2-ylmethyl)propan-2-amine?
The IUPAC name of N-propan-2-ylpyridin-3-amine;N-propan-2-ylpyrimidin-2-amine;N-propan-2-ylpyrimidin-5-amine;N-(pyrazin-2-ylmethyl)propan-2-amine;N-(pyridin-2-ylmethyl)propan-2-amine;N-(1,3-thiazol-2-ylmethyl)propan-2-amine (CID 158165236) is N-propan-2-ylpyridin-3-amine;N-propan-2-ylpyrimidin-2-amine;N-propan-2-ylpyrimidin-5-amine;N-(pyrazin-2-ylmethyl)propan-2-amine;N-(pyridin-2-ylmethyl)propan-2-amine;N-(1,3-thiazol-2-ylmethyl)propan-2-amine.
What is the SMILES notation for N-propan-2-ylpyridin-3-amine;N-propan-2-ylpyrimidin-2-amine;N-propan-2-ylpyrimidin-5-amine;N-(pyrazin-2-ylmethyl)propan-2-amine;N-(pyridin-2-ylmethyl)propan-2-amine;N-(1,3-thiazol-2-ylmethyl)propan-2-amine?
The canonical SMILES for N-propan-2-ylpyridin-3-amine;N-propan-2-ylpyrimidin-2-amine;N-propan-2-ylpyrimidin-5-amine;N-(pyrazin-2-ylmethyl)propan-2-amine;N-(pyridin-2-ylmethyl)propan-2-amine;N-(1,3-thiazol-2-ylmethyl)propan-2-amine is CC(C)NCc1ccccn1.CC(C)NCc1cnccn1.CC(C)NCc1nccs1.CC(C)Nc1cccnc1.CC(C)Nc1cncnc1.CC(C)Nc1ncccn1.
What is the InChIKey of N-propan-2-ylpyridin-3-amine;N-propan-2-ylpyrimidin-2-amine;N-propan-2-ylpyrimidin-5-amine;N-(pyrazin-2-ylmethyl)propan-2-amine;N-(pyridin-2-ylmethyl)propan-2-amine;N-(1,3-thiazol-2-ylmethyl)propan-2-amine?
The InChIKey is FWTJDZRXLAMTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2.C8H13N3.C8H12N2.2C7H11N3.C7H12N2S/c1-8(2)11-7-9-5-3-4-6-10-9;1-7(2)11-6-8-5-9-3-4-10-8;1-7(2)10-8-4-3-5-9-6-8;1-6(2)10-7-3-8-5-9-4-7;1-6(2)10-7-8-4-3-5-9-7;1-6(2)9-5-7-8-3-4-10-7/h3-6,8,11H,7H2,1-2H3;3-5,7,11H,6H2,1-2H3;3-7,10H,1-2H3;3-6,10H,1-2H3;3-6H,1-2H3,(H,8,9,10);3-4,6,9H,5H2,1-2H3.
What are the key properties of N-propan-2-ylpyridin-3-amine;N-propan-2-ylpyrimidin-2-amine;N-propan-2-ylpyrimidin-5-amine;N-(pyrazin-2-ylmethyl)propan-2-amine;N-(pyridin-2-ylmethyl)propan-2-amine;N-(1,3-thiazol-2-ylmethyl)propan-2-amine?
N-propan-2-ylpyridin-3-amine;N-propan-2-ylpyrimidin-2-amine;N-propan-2-ylpyrimidin-5-amine;N-(pyrazin-2-ylmethyl)propan-2-amine;N-(pyridin-2-ylmethyl)propan-2-amine;N-(1,3-thiazol-2-ylmethyl)propan-2-amine has a molecular weight of 868.26 g/mol, XLogP of 8.69, 15 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-ylpyridin-3-amine;N-propan-2-ylpyrimidin-2-amine;N-propan-2-ylpyrimidin-5-amine;N-(pyrazin-2-ylmethyl)propan-2-amine;N-(pyridin-2-ylmethyl)propan-2-amine;N-(1,3-thiazol-2-ylmethyl)propan-2-amine is sourced from PubChem (CID 158165236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).