4-[4-(aminomethyl)-1,3-thiazol-2-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine

C16H17N5S — CID 11209142

IUPAC4-[4-(aminomethyl)-1,3-thiazol-2-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine
SMILESCc1cc(C)cc(Nc2nccc(-c3nc(CN)cs3)n2)c1
InChIInChI=1S/C16H17N5S/c1-10-5-11(2)7-12(6-10)20-16-18-4-3-14(21-16)15-19-13(8-17)9-22-15/h3-7,9H,8,17H2,1-2H3,(H,18,20,21)
InChIKeyUPGADTRHIFFTEE-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.42
Rot. Bonds4

About 4-[4-(aminomethyl)-1,3-thiazol-2-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine

4-[4-(aminomethyl)-1,3-thiazol-2-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine (PubChem CID 11209142) has the molecular formula C16H17N5S and a molecular weight of 311.41 g/mol. Its IUPAC name is 4-[4-(aminomethyl)-1,3-thiazol-2-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-(aminomethyl)-1,3-thiazol-2-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine
PubChem CID11209142
Molecular FormulaC16H17N5S
Molecular Weight311.41 g/mol
Exact Mass311.12
IUPAC Name4-[4-(aminomethyl)-1,3-thiazol-2-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine
SMILESCc1cc(C)cc(Nc2nccc(-c3nc(CN)cs3)n2)c1
InChIInChI=1S/C16H17N5S/c1-10-5-11(2)7-12(6-10)20-16-18-4-3-14(21-16)15-19-13(8-17)9-22-15/h3-7,9H,8,17H2,1-2H3,(H,18,20,21)
InChIKeyUPGADTRHIFFTEE-UHFFFAOYSA-N
XLogP3.42
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(aminomethyl)-1,3-thiazol-2-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine?
The IUPAC name of 4-[4-(aminomethyl)-1,3-thiazol-2-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine (CID 11209142) is 4-[4-(aminomethyl)-1,3-thiazol-2-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[4-(aminomethyl)-1,3-thiazol-2-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-[4-(aminomethyl)-1,3-thiazol-2-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine is Cc1cc(C)cc(Nc2nccc(-c3nc(CN)cs3)n2)c1.
What is the InChIKey of 4-[4-(aminomethyl)-1,3-thiazol-2-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine?
The InChIKey is UPGADTRHIFFTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5S/c1-10-5-11(2)7-12(6-10)20-16-18-4-3-14(21-16)15-19-13(8-17)9-22-15/h3-7,9H,8,17H2,1-2H3,(H,18,20,21).
What are the key properties of 4-[4-(aminomethyl)-1,3-thiazol-2-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine?
4-[4-(aminomethyl)-1,3-thiazol-2-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine has a molecular weight of 311.41 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(aminomethyl)-1,3-thiazol-2-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 11209142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).