6-N-[(4-methylphenyl)methyl]-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine

C15H16N6S — CID 19147571

IUPAC6-N-[(4-methylphenyl)methyl]-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
SMILESCc1ccc(CNc2ncnc(Nc3nccs3)c2N)cc1
InChIInChI=1S/C15H16N6S/c1-10-2-4-11(5-3-10)8-18-13-12(16)14(20-9-19-13)21-15-17-6-7-22-15/h2-7,9H,8,16H2,1H3,(H2,17,18,19,20,21)
InChIKeyQWUUBGOOUGTXKU-UHFFFAOYSA-N
MW312.40 g/mol
LogP3.18
Rot. Bonds5

About 6-N-[(4-methylphenyl)methyl]-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine

6-N-[(4-methylphenyl)methyl]-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine (PubChem CID 19147571) has the molecular formula C15H16N6S and a molecular weight of 312.40 g/mol. Its IUPAC name is 6-N-[(4-methylphenyl)methyl]-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-[(4-methylphenyl)methyl]-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
PubChem CID19147571
Molecular FormulaC15H16N6S
Molecular Weight312.40 g/mol
Exact Mass312.12
IUPAC Name6-N-[(4-methylphenyl)methyl]-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
SMILESCc1ccc(CNc2ncnc(Nc3nccs3)c2N)cc1
InChIInChI=1S/C15H16N6S/c1-10-2-4-11(5-3-10)8-18-13-12(16)14(20-9-19-13)21-15-17-6-7-22-15/h2-7,9H,8,16H2,1H3,(H2,17,18,19,20,21)
InChIKeyQWUUBGOOUGTXKU-UHFFFAOYSA-N
XLogP3.18
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

6-N-(pyridin-3-ylmethyl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
CID 22542797
6-N-ethyl-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
CID 19135239
6-N-[(4-methylphenyl)methyl]-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine
CID 19146976
6-N-(2,5-dimethylphenyl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
CID 22547046
6-N-butyl-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
CID 19134848
N'-[5-amino-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide
CID 19147594
4-N-tert-butyl-6-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
CID 22540289
4-N-(3-chloro-2-methylphenyl)-6-N-[(4-methylphenyl)methyl]pyrimidine-4,5,6-triamine
CID 22545421
6-N-hexadecyl-4-N-[(4-methylphenyl)methyl]pyrimidine-4,5,6-triamine
CID 19142422
4-N-[(4-methylphenyl)methyl]-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine
CID 19138067
N'-[5-amino-6-[(4-methylphenyl)methylamino]pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide
CID 19150282
6-N-(4-chlorophenyl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
CID 19147555

Frequently Asked Questions

What is the IUPAC name of 6-N-[(4-methylphenyl)methyl]-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-[(4-methylphenyl)methyl]-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine (CID 19147571) is 6-N-[(4-methylphenyl)methyl]-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-[(4-methylphenyl)methyl]-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-[(4-methylphenyl)methyl]-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine is Cc1ccc(CNc2ncnc(Nc3nccs3)c2N)cc1.
What is the InChIKey of 6-N-[(4-methylphenyl)methyl]-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine?
The InChIKey is QWUUBGOOUGTXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6S/c1-10-2-4-11(5-3-10)8-18-13-12(16)14(20-9-19-13)21-15-17-6-7-22-15/h2-7,9H,8,16H2,1H3,(H2,17,18,19,20,21).
What are the key properties of 6-N-[(4-methylphenyl)methyl]-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine?
6-N-[(4-methylphenyl)methyl]-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine has a molecular weight of 312.40 g/mol, XLogP of 3.18, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(4-methylphenyl)methyl]-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19147571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).