5-amino-N-(3,4-dimethylphenyl)-2-propan-2-ylpyrimidine-4-carboxamide

C16H20N4O — CID 62155005

IUPAC5-amino-N-(3,4-dimethylphenyl)-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)c2nc(C(C)C)ncc2N)cc1C
InChIInChI=1S/C16H20N4O/c1-9(2)15-18-8-13(17)14(20-15)16(21)19-12-6-5-10(3)11(4)7-12/h5-9H,17H2,1-4H3,(H,19,21)
InChIKeySPYPNFHPQGIKKV-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.05
Rot. Bonds3

About 5-amino-N-(3,4-dimethylphenyl)-2-propan-2-ylpyrimidine-4-carboxamide

5-amino-N-(3,4-dimethylphenyl)-2-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 62155005) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 5-amino-N-(3,4-dimethylphenyl)-2-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(3,4-dimethylphenyl)-2-propan-2-ylpyrimidine-4-carboxamide
PubChem CID62155005
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name5-amino-N-(3,4-dimethylphenyl)-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)c2nc(C(C)C)ncc2N)cc1C
InChIInChI=1S/C16H20N4O/c1-9(2)15-18-8-13(17)14(20-15)16(21)19-12-6-5-10(3)11(4)7-12/h5-9H,17H2,1-4H3,(H,19,21)
InChIKeySPYPNFHPQGIKKV-UHFFFAOYSA-N
XLogP3.05
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-(5-methyl-2-pyridinyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62151652
5-amino-N-(2,5-difluorophenyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62152689
5-amino-N-(2-chloro-4-iodophenyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 107606077
5-amino-N-(2,2-dimethylpropyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62161344
5-amino-N-(3-ethylpentan-3-yl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 65042334
5-amino-N-(cyclopropylmethyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 55043487
N-(4-carbamoylphenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide
CID 136579417
5-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 107643158
N-(3,4-dimethylphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 17253289
5-amino-2-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-4-carboxamide
CID 63245152
2-[4-[(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)amino]-2-fluorophenyl]acetic acid
CID 122109954
6-bromo-N-(3,4-dimethylphenyl)pyridine-2-carboxamide
CID 103874038

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3,4-dimethylphenyl)-2-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 5-amino-N-(3,4-dimethylphenyl)-2-propan-2-ylpyrimidine-4-carboxamide (CID 62155005) is 5-amino-N-(3,4-dimethylphenyl)-2-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-amino-N-(3,4-dimethylphenyl)-2-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 5-amino-N-(3,4-dimethylphenyl)-2-propan-2-ylpyrimidine-4-carboxamide is Cc1ccc(NC(=O)c2nc(C(C)C)ncc2N)cc1C.
What is the InChIKey of 5-amino-N-(3,4-dimethylphenyl)-2-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is SPYPNFHPQGIKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-9(2)15-18-8-13(17)14(20-15)16(21)19-12-6-5-10(3)11(4)7-12/h5-9H,17H2,1-4H3,(H,19,21).
What are the key properties of 5-amino-N-(3,4-dimethylphenyl)-2-propan-2-ylpyrimidine-4-carboxamide?
5-amino-N-(3,4-dimethylphenyl)-2-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3,4-dimethylphenyl)-2-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 62155005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).