5-amino-2-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-4-carboxamide

C13H17N5OS — CID 63245152

IUPAC5-amino-2-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-4-carboxamide
SMILESCC(C)c1ncc(N)c(C(=O)NCCc2nccs2)n1
InChIInChI=1S/C13H17N5OS/c1-8(2)12-17-7-9(14)11(18-12)13(19)16-4-3-10-15-5-6-20-10/h5-8H,3-4,14H2,1-2H3,(H,16,19)
InChIKeyWJOUGLCVEFLHSS-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.61
Rot. Bonds5

About 5-amino-2-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-4-carboxamide

5-amino-2-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-4-carboxamide (PubChem CID 63245152) has the molecular formula C13H17N5OS and a molecular weight of 291.38 g/mol. Its IUPAC name is 5-amino-2-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-amino-2-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-4-carboxamide
PubChem CID63245152
Molecular FormulaC13H17N5OS
Molecular Weight291.38 g/mol
Exact Mass291.12
IUPAC Name5-amino-2-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-4-carboxamide
SMILESCC(C)c1ncc(N)c(C(=O)NCCc2nccs2)n1
InChIInChI=1S/C13H17N5OS/c1-8(2)12-17-7-9(14)11(18-12)13(19)16-4-3-10-15-5-6-20-10/h5-8H,3-4,14H2,1-2H3,(H,16,19)
InChIKeyWJOUGLCVEFLHSS-UHFFFAOYSA-N
XLogP1.61
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-4-carboxamide?
The IUPAC name of 5-amino-2-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-4-carboxamide (CID 63245152) is 5-amino-2-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 5-amino-2-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-4-carboxamide?
The canonical SMILES for 5-amino-2-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-4-carboxamide is CC(C)c1ncc(N)c(C(=O)NCCc2nccs2)n1.
What is the InChIKey of 5-amino-2-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-4-carboxamide?
The InChIKey is WJOUGLCVEFLHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5OS/c1-8(2)12-17-7-9(14)11(18-12)13(19)16-4-3-10-15-5-6-20-10/h5-8H,3-4,14H2,1-2H3,(H,16,19).
What are the key properties of 5-amino-2-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-4-carboxamide?
5-amino-2-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-4-carboxamide has a molecular weight of 291.38 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 63245152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).