5-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide

C12H16N6OS — CID 107643158

IUPAC5-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCCc1nnc(NC(=O)c2nc(C(C)C)ncc2N)s1
InChIInChI=1S/C12H16N6OS/c1-4-8-17-18-12(20-8)16-11(19)9-7(13)5-14-10(15-9)6(2)3/h5-6H,4,13H2,1-3H3,(H,16,18,19)
InChIKeyBRNNMYCJTMCAFT-UHFFFAOYSA-N
MW292.37 g/mol
LogP1.85
Rot. Bonds4

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

5-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 107643158) has the molecular formula C12H16N6OS and a molecular weight of 292.37 g/mol. Its IUPAC name is 5-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide
PubChem CID107643158
Molecular FormulaC12H16N6OS
Molecular Weight292.37 g/mol
Exact Mass292.11
IUPAC Name5-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCCc1nnc(NC(=O)c2nc(C(C)C)ncc2N)s1
InChIInChI=1S/C12H16N6OS/c1-4-8-17-18-12(20-8)16-11(19)9-7(13)5-14-10(15-9)6(2)3/h5-6H,4,13H2,1-3H3,(H,16,18,19)
InChIKeyBRNNMYCJTMCAFT-UHFFFAOYSA-N
XLogP1.85
TPSA106.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide
CID 107643170
5-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62185510
4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 107641326
5-amino-N-(3-ethylpentan-3-yl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 65042334
5-amino-2-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-4-carboxamide
CID 63245152
5-amino-N-(2,3-dimethylbutyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 64583560
5-amino-N-hexan-3-yl-2-propan-2-ylpyrimidine-4-carboxamide
CID 62161489
5-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 62186023
5-amino-N-(5-methyl-2-pyridinyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62151652
5-amino-N-(3,4-dimethylphenyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62155005
5-amino-N-(6-methyl-2-pyridinyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62153598
5-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylsulfanylpyrimidine-4-carboxamide
CID 17014134

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 5-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide (CID 107643158) is 5-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 5-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide is CCc1nnc(NC(=O)c2nc(C(C)C)ncc2N)s1.
What is the InChIKey of 5-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is BRNNMYCJTMCAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6OS/c1-4-8-17-18-12(20-8)16-11(19)9-7(13)5-14-10(15-9)6(2)3/h5-6H,4,13H2,1-3H3,(H,16,18,19).
What are the key properties of 5-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide?
5-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 292.37 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 107643158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).