2-propan-2-yl-5-(propylamino)-N-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide

C14H19N5OS — CID 62172859

IUPAC2-propan-2-yl-5-(propylamino)-N-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide
SMILESCCCNc1cnc(C(C)C)nc1C(=O)Nc1nccs1
InChIInChI=1S/C14H19N5OS/c1-4-5-15-10-8-17-12(9(2)3)18-11(10)13(20)19-14-16-6-7-21-14/h6-9,15H,4-5H2,1-3H3,(H,16,19,20)
InChIKeyYGKFIDYLBLIRKF-UHFFFAOYSA-N
MW305.41 g/mol
LogP3.13
Rot. Bonds6

About 2-propan-2-yl-5-(propylamino)-N-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide

2-propan-2-yl-5-(propylamino)-N-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide (PubChem CID 62172859) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is 2-propan-2-yl-5-(propylamino)-N-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-propan-2-yl-5-(propylamino)-N-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide
PubChem CID62172859
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Name2-propan-2-yl-5-(propylamino)-N-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide
SMILESCCCNc1cnc(C(C)C)nc1C(=O)Nc1nccs1
InChIInChI=1S/C14H19N5OS/c1-4-5-15-10-8-17-12(9(2)3)18-11(10)13(20)19-14-16-6-7-21-14/h6-9,15H,4-5H2,1-3H3,(H,16,19,20)
InChIKeyYGKFIDYLBLIRKF-UHFFFAOYSA-N
XLogP3.13
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(ethylamino)-2-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4-carboxamide
CID 62175298
N-(3-methylbutan-2-yl)-2-propan-2-yl-5-(propylamino)pyrimidine-4-carboxamide
CID 62165287
N-(3-methylbutyl)-2-propan-2-yl-5-(propylamino)pyrimidine-4-carboxamide
CID 63499131
N-butan-2-yl-2-propan-2-yl-5-(propylamino)pyrimidine-4-carboxamide
CID 62173236
5-(methylamino)-2-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4-carboxamide
CID 62175297
N-(5-bromo-1,3-thiazol-2-yl)-5-(ethylamino)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62179139
5-(methylamino)-2-propan-2-yl-N-propylpyrimidine-4-carboxamide
CID 55042358
5-(ethylamino)-2-propan-2-yl-N-pyridin-4-ylpyrimidine-4-carboxamide
CID 62167205
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide
CID 107643170
5-(butylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 62086122
(2S)-2-methyl-N-(1,3-thiazol-2-yl)pentanamide
CID 7302765
5-(methylamino)-N-[2-oxo-2-(propylamino)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 62168386

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5-(propylamino)-N-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide?
The IUPAC name of 2-propan-2-yl-5-(propylamino)-N-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide (CID 62172859) is 2-propan-2-yl-5-(propylamino)-N-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-propan-2-yl-5-(propylamino)-N-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-propan-2-yl-5-(propylamino)-N-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide is CCCNc1cnc(C(C)C)nc1C(=O)Nc1nccs1.
What is the InChIKey of 2-propan-2-yl-5-(propylamino)-N-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide?
The InChIKey is YGKFIDYLBLIRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-4-5-15-10-8-17-12(9(2)3)18-11(10)13(20)19-14-16-6-7-21-14/h6-9,15H,4-5H2,1-3H3,(H,16,19,20).
What are the key properties of 2-propan-2-yl-5-(propylamino)-N-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide?
2-propan-2-yl-5-(propylamino)-N-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide has a molecular weight of 305.41 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5-(propylamino)-N-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 62172859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).