6-(cyclopropylamino)-2-methyl-N-propylpyrimidine-4-carboxamide

C12H18N4O — CID 109360175

IUPAC6-(cyclopropylamino)-2-methyl-N-propylpyrimidine-4-carboxamide
SMILESCCCNC(=O)c1cc(NC2CC2)nc(C)n1
InChIInChI=1S/C12H18N4O/c1-3-6-13-12(17)10-7-11(15-8(2)14-10)16-9-4-5-9/h7,9H,3-6H2,1-2H3,(H,13,17)(H,14,15,16)
InChIKeySBQUEPKYZZTNBC-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.50
Rot. Bonds5

About 6-(cyclopropylamino)-2-methyl-N-propylpyrimidine-4-carboxamide

6-(cyclopropylamino)-2-methyl-N-propylpyrimidine-4-carboxamide (PubChem CID 109360175) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 6-(cyclopropylamino)-2-methyl-N-propylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(cyclopropylamino)-2-methyl-N-propylpyrimidine-4-carboxamide
PubChem CID109360175
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name6-(cyclopropylamino)-2-methyl-N-propylpyrimidine-4-carboxamide
SMILESCCCNC(=O)c1cc(NC2CC2)nc(C)n1
InChIInChI=1S/C12H18N4O/c1-3-6-13-12(17)10-7-11(15-8(2)14-10)16-9-4-5-9/h7,9H,3-6H2,1-2H3,(H,13,17)(H,14,15,16)
InChIKeySBQUEPKYZZTNBC-UHFFFAOYSA-N
XLogP1.50
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(cyclohexylamino)-N-(2-methoxyethyl)-2-methylpyrimidine-4-carboxamide
CID 109363775
6-(cyclopropylamino)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109360790
6-(cyclohexylamino)-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide
CID 109363776
6-(cyclopropylamino)-N-propylpyridazine-3-carboxamide
CID 109109200
6-(cyclohexylamino)-2-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109362124
6-(cycloheptylamino)-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109371830
N-[2-(cyclohexen-1-yl)ethyl]-6-(cyclohexylamino)-2-methylpyrimidine-4-carboxamide
CID 109363774
N-cyclopropyl-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide
CID 109361040
6-(cyclohexylamino)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109363792
6-(cyclopropylamino)-N-(3,4-dichlorophenyl)-2-methylpyrimidine-4-carboxamide
CID 109360943
6-(cyclohexylamino)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109363807
6-(cyclopropylamino)-N-ethyl-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 109360869

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylamino)-2-methyl-N-propylpyrimidine-4-carboxamide?
The IUPAC name of 6-(cyclopropylamino)-2-methyl-N-propylpyrimidine-4-carboxamide (CID 109360175) is 6-(cyclopropylamino)-2-methyl-N-propylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(cyclopropylamino)-2-methyl-N-propylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(cyclopropylamino)-2-methyl-N-propylpyrimidine-4-carboxamide is CCCNC(=O)c1cc(NC2CC2)nc(C)n1.
What is the InChIKey of 6-(cyclopropylamino)-2-methyl-N-propylpyrimidine-4-carboxamide?
The InChIKey is SBQUEPKYZZTNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-3-6-13-12(17)10-7-11(15-8(2)14-10)16-9-4-5-9/h7,9H,3-6H2,1-2H3,(H,13,17)(H,14,15,16).
What are the key properties of 6-(cyclopropylamino)-2-methyl-N-propylpyrimidine-4-carboxamide?
6-(cyclopropylamino)-2-methyl-N-propylpyrimidine-4-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylamino)-2-methyl-N-propylpyrimidine-4-carboxamide is sourced from PubChem (CID 109360175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).