6-(3-aminocyclobutyl)-2-cyclopropyl-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-4-amine

C17H22N4S — CID 91795318

IUPAC6-(3-aminocyclobutyl)-2-cyclopropyl-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-4-amine
SMILESCc1ccc(CNc2cc(C3CC(N)C3)nc(C3CC3)n2)s1
InChIInChI=1S/C17H22N4S/c1-10-2-5-14(22-10)9-19-16-8-15(12-6-13(18)7-12)20-17(21-16)11-3-4-11/h2,5,8,11-13H,3-4,6-7,9,18H2,1H3,(H,19,20,21)
InChIKeyCHDSOJUMGCOGKT-UHFFFAOYSA-N
MW314.46 g/mol
LogP3.54
Rot. Bonds5

About 6-(3-aminocyclobutyl)-2-cyclopropyl-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-4-amine

6-(3-aminocyclobutyl)-2-cyclopropyl-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-4-amine (PubChem CID 91795318) has the molecular formula C17H22N4S and a molecular weight of 314.46 g/mol. Its IUPAC name is 6-(3-aminocyclobutyl)-2-cyclopropyl-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-aminocyclobutyl)-2-cyclopropyl-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-4-amine
PubChem CID91795318
Molecular FormulaC17H22N4S
Molecular Weight314.46 g/mol
Exact Mass314.16
IUPAC Name6-(3-aminocyclobutyl)-2-cyclopropyl-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-4-amine
SMILESCc1ccc(CNc2cc(C3CC(N)C3)nc(C3CC3)n2)s1
InChIInChI=1S/C17H22N4S/c1-10-2-5-14(22-10)9-19-16-8-15(12-6-13(18)7-12)20-17(21-16)11-3-4-11/h2,5,8,11-13H,3-4,6-7,9,18H2,1H3,(H,19,20,21)
InChIKeyCHDSOJUMGCOGKT-UHFFFAOYSA-N
XLogP3.54
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-aminocyclobutyl)-N-[(5-chlorothiophen-2-yl)methyl]-2-cyclopropylpyrimidin-4-amine;dihydrochloride
CID 154901707
2-cyclopropyl-4-N-[(5-methylthiophen-2-yl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80967847
6-(3-aminocyclobutyl)-2-cyclopropyl-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine;dihydrochloride
CID 154901872
6-(3-aminocyclobutyl)-2-cyclopropyl-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]pyrimidin-4-amine
CID 91761753
6-(3-aminocyclobutyl)-2-cyclopropyl-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]pyrimidin-4-amine
CID 91790373
2-[2-[[6-(3-aminocyclobutyl)-2-cyclopropylpyrimidin-4-yl]amino]ethyl]-4-methyl-1H-pyrimidin-6-one
CID 136664988
6-(3-aminocyclobutyl)-2-cyclopropyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]pyrimidin-4-amine;dihydrochloride
CID 154902388
4-N-[(5-bromothiophen-2-yl)methyl]-2-cyclopropylpyrimidine-4,6-diamine
CID 80959171
N'-[6-(3-aminocyclobutyl)-2-cyclopropylpyrimidin-4-yl]-N-pyridin-3-ylethane-1,2-diamine;dihydrochloride
CID 154902435
6-(3-aminocyclobutyl)-2-cyclopropyl-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine
CID 91782142
6-(3-aminocyclobutyl)-N-(2-cyclohexylsulfanylethyl)-2-cyclopropylpyrimidin-4-amine;dihydrochloride
CID 154901879
4-[[[6-(3-aminocyclobutyl)-2-methylpyrimidin-4-yl]amino]methyl]-2-methyl-1H-pyrimidin-6-one
CID 136662070

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminocyclobutyl)-2-cyclopropyl-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-(3-aminocyclobutyl)-2-cyclopropyl-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-4-amine (CID 91795318) is 6-(3-aminocyclobutyl)-2-cyclopropyl-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-(3-aminocyclobutyl)-2-cyclopropyl-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-(3-aminocyclobutyl)-2-cyclopropyl-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-4-amine is Cc1ccc(CNc2cc(C3CC(N)C3)nc(C3CC3)n2)s1.
What is the InChIKey of 6-(3-aminocyclobutyl)-2-cyclopropyl-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-4-amine?
The InChIKey is CHDSOJUMGCOGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4S/c1-10-2-5-14(22-10)9-19-16-8-15(12-6-13(18)7-12)20-17(21-16)11-3-4-11/h2,5,8,11-13H,3-4,6-7,9,18H2,1H3,(H,19,20,21).
What are the key properties of 6-(3-aminocyclobutyl)-2-cyclopropyl-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-4-amine?
6-(3-aminocyclobutyl)-2-cyclopropyl-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-4-amine has a molecular weight of 314.46 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminocyclobutyl)-2-cyclopropyl-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 91795318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).