N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide

C14H19N5OS — CID 62176385

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCNc1cnc(C(C)C)nc1C(=O)Nc1nc(C)c(C)s1
InChIInChI=1S/C14H19N5OS/c1-7(2)12-16-6-10(15-5)11(18-12)13(20)19-14-17-8(3)9(4)21-14/h6-7,15H,1-5H3,(H,17,19,20)
InChIKeyBWRHCNKKSZRHNH-UHFFFAOYSA-N
MW305.41 g/mol
LogP2.97
Rot. Bonds4

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 62176385) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide
PubChem CID62176385
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCNc1cnc(C(C)C)nc1C(=O)Nc1nc(C)c(C)s1
InChIInChI=1S/C14H19N5OS/c1-7(2)12-16-6-10(15-5)11(18-12)13(20)19-14-17-8(3)9(4)21-14/h6-7,15H,1-5H3,(H,17,19,20)
InChIKeyBWRHCNKKSZRHNH-UHFFFAOYSA-N
XLogP2.97
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide (CID 62176385) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide is CNc1cnc(C(C)C)nc1C(=O)Nc1nc(C)c(C)s1.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is BWRHCNKKSZRHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-7(2)12-16-6-10(15-5)11(18-12)13(20)19-14-17-8(3)9(4)21-14/h6-7,15H,1-5H3,(H,17,19,20).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 305.41 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 62176385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).