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

C13H17N5OS — CID 62185510

IUPAC5-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCc1nc(NC(=O)c2nc(C(C)C)ncc2N)sc1C
InChIInChI=1S/C13H17N5OS/c1-6(2)11-15-5-9(14)10(17-11)12(19)18-13-16-7(3)8(4)20-13/h5-6H,14H2,1-4H3,(H,16,18,19)
InChIKeyWZUDUIKVFKGSCE-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.51
Rot. Bonds3

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

5-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 62185510) has the molecular formula C13H17N5OS and a molecular weight of 291.38 g/mol. Its IUPAC name is 5-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide
PubChem CID62185510
Molecular FormulaC13H17N5OS
Molecular Weight291.38 g/mol
Exact Mass291.12
IUPAC Name5-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCc1nc(NC(=O)c2nc(C(C)C)ncc2N)sc1C
InChIInChI=1S/C13H17N5OS/c1-6(2)11-15-5-9(14)10(17-11)12(19)18-13-16-7(3)8(4)20-13/h5-6H,14H2,1-4H3,(H,16,18,19)
InChIKeyWZUDUIKVFKGSCE-UHFFFAOYSA-N
XLogP2.51
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 5-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide (CID 62185510) is 5-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 5-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide is Cc1nc(NC(=O)c2nc(C(C)C)ncc2N)sc1C.
What is the InChIKey of 5-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is WZUDUIKVFKGSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5OS/c1-6(2)11-15-5-9(14)10(17-11)12(19)18-13-16-7(3)8(4)20-13/h5-6H,14H2,1-4H3,(H,16,18,19).
What are the key properties of 5-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide?
5-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 291.38 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 62185510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).