N-benzyl-6-(cyclopropylamino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide

C19H24N4O — CID 109360842

IUPACN-benzyl-6-(cyclopropylamino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
SMILESCc1nc(NC2CC2)cc(C(=O)N(Cc2ccccc2)C(C)C)n1
InChIInChI=1S/C19H24N4O/c1-13(2)23(12-15-7-5-4-6-8-15)19(24)17-11-18(21-14(3)20-17)22-16-9-10-16/h4-8,11,13,16H,9-10,12H2,1-3H3,(H,20,21,22)
InChIKeyGYWLBOBMQKSHAG-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.41
Rot. Bonds6

About N-benzyl-6-(cyclopropylamino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide

N-benzyl-6-(cyclopropylamino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 109360842) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is N-benzyl-6-(cyclopropylamino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-(cyclopropylamino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
PubChem CID109360842
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC NameN-benzyl-6-(cyclopropylamino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
SMILESCc1nc(NC2CC2)cc(C(=O)N(Cc2ccccc2)C(C)C)n1
InChIInChI=1S/C19H24N4O/c1-13(2)23(12-15-7-5-4-6-8-15)19(24)17-11-18(21-14(3)20-17)22-16-9-10-16/h4-8,11,13,16H,9-10,12H2,1-3H3,(H,20,21,22)
InChIKeyGYWLBOBMQKSHAG-UHFFFAOYSA-N
XLogP3.41
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-6-(cyclopropylamino)-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 109360923
N-benzyl-6-(3-chloroanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 112846465
N-benzyl-5-(cyclohexylamino)-N-propan-2-ylpyrazine-2-carboxamide
CID 109274885
6-(cyclopropylamino)-N-ethyl-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 109360869
N-benzyl-4-(cycloheptylamino)-N-propan-2-ylpyridine-2-carboxamide
CID 109217127
N-benzyl-5-(cycloheptylamino)-N-propan-2-ylpyridine-2-carboxamide
CID 109195349
N-benzyl-N,2-dimethyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109360400
6-(cyclopropylamino)-2-methyl-N-propylpyrimidine-4-carboxamide
CID 109360175
6-(cyclopropylamino)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109360790
N-benzyl-6-(butan-2-ylamino)-N-ethyl-2-methylpyrimidine-4-carboxamide
CID 109362341
N-benzyl-2-methyl-6-(2-methylpropylamino)-N-phenylpyrimidine-4-carboxamide
CID 109362083
6-(cycloheptylamino)-2-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109369260

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-(cyclopropylamino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of N-benzyl-6-(cyclopropylamino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide (CID 109360842) is N-benzyl-6-(cyclopropylamino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-benzyl-6-(cyclopropylamino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-benzyl-6-(cyclopropylamino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide is Cc1nc(NC2CC2)cc(C(=O)N(Cc2ccccc2)C(C)C)n1.
What is the InChIKey of N-benzyl-6-(cyclopropylamino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is GYWLBOBMQKSHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-13(2)23(12-15-7-5-4-6-8-15)19(24)17-11-18(21-14(3)20-17)22-16-9-10-16/h4-8,11,13,16H,9-10,12H2,1-3H3,(H,20,21,22).
What are the key properties of N-benzyl-6-(cyclopropylamino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide?
N-benzyl-6-(cyclopropylamino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 324.43 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-(cyclopropylamino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 109360842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).