4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)pyrimidine-4,5-diamine

C19H28N6S — CID 19140820

IUPAC4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)pyrimidine-4,5-diamine
SMILESCc1nc(Nc2ncnc(N3CC4(C)CC3CC(C)(C)C4)c2N)sc1C
InChIInChI=1S/C19H28N6S/c1-11-12(2)26-17(23-11)24-15-14(20)16(22-10-21-15)25-9-19(5)7-13(25)6-18(3,4)8-19/h10,13H,6-9,20H2,1-5H3,(H,21,22,23,24)
InChIKeyVUQJOSPZFGUNFJ-UHFFFAOYSA-N
MW372.54 g/mol
LogP4.28
Rot. Bonds3

About 4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)pyrimidine-4,5-diamine

4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)pyrimidine-4,5-diamine (PubChem CID 19140820) has the molecular formula C19H28N6S and a molecular weight of 372.54 g/mol. Its IUPAC name is 4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)pyrimidine-4,5-diamine
PubChem CID19140820
Molecular FormulaC19H28N6S
Molecular Weight372.54 g/mol
Exact Mass372.21
IUPAC Name4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)pyrimidine-4,5-diamine
SMILESCc1nc(Nc2ncnc(N3CC4(C)CC3CC(C)(C)C4)c2N)sc1C
InChIInChI=1S/C19H28N6S/c1-11-12(2)26-17(23-11)24-15-14(20)16(22-10-21-15)25-9-19(5)7-13(25)6-18(3,4)8-19/h10,13H,6-9,20H2,1-5H3,(H,21,22,23,24)
InChIKeyVUQJOSPZFGUNFJ-UHFFFAOYSA-N
XLogP4.28
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.54
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)pyrimidine-4,5-diamine with MolForge

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Related Compounds

4-N-(4-butylphenyl)-6-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)pyrimidine-4,5-diamine
CID 22540007
ethyl 4-[[5-amino-6-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)pyrimidin-4-yl]amino]benzoate
CID 19140791
4-N-(3-methoxypropyl)-6-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)pyrimidine-4,5-diamine
CID 19140775
4-N-[(2-chlorophenyl)methyl]-6-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)pyrimidine-4,5-diamine
CID 19140895
6-(3,5-dimethylpyrazol-1-yl)-4-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidine-4,5-diamine
CID 19149692
4-N-(pyridin-3-ylmethyl)-6-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)pyrimidine-4,5-diamine
CID 22542749
N'-[5-amino-6-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)pyrimidin-4-yl]pyridine-2-carbohydrazide
CID 19140848
4-N-methyl-4-N-phenyl-6-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)pyrimidine-4,5-diamine
CID 19140777
6-chloro-4-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidine-4,5-diamine
CID 23477554
N'-[5-amino-6-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)pyrimidin-4-yl]-2-methoxybenzohydrazide
CID 19140841
4-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
CID 98087383
N-(2,3-dimethylphenyl)-5-nitro-6-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)pyrimidin-4-amine
CID 23492766

Frequently Asked Questions

What is the IUPAC name of 4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)pyrimidine-4,5-diamine?
The IUPAC name of 4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)pyrimidine-4,5-diamine (CID 19140820) is 4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)pyrimidine-4,5-diamine is Cc1nc(Nc2ncnc(N3CC4(C)CC3CC(C)(C)C4)c2N)sc1C.
What is the InChIKey of 4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)pyrimidine-4,5-diamine?
The InChIKey is VUQJOSPZFGUNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6S/c1-11-12(2)26-17(23-11)24-15-14(20)16(22-10-21-15)25-9-19(5)7-13(25)6-18(3,4)8-19/h10,13H,6-9,20H2,1-5H3,(H,21,22,23,24).
What are the key properties of 4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)pyrimidine-4,5-diamine?
4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)pyrimidine-4,5-diamine has a molecular weight of 372.54 g/mol, XLogP of 4.28, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)pyrimidine-4,5-diamine is sourced from PubChem (CID 19140820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).