2-(benzylamino)-N-cycloheptylpyrimidine-4-carboxamide

C19H24N4O — CID 109303634

IUPAC2-(benzylamino)-N-cycloheptylpyrimidine-4-carboxamide
SMILESO=C(NC1CCCCCC1)c1ccnc(NCc2ccccc2)n1
InChIInChI=1S/C19H24N4O/c24-18(22-16-10-6-1-2-7-11-16)17-12-13-20-19(23-17)21-14-15-8-4-3-5-9-15/h3-5,8-9,12-13,16H,1-2,6-7,10-11,14H2,(H,22,24)(H,20,21,23)
InChIKeyXLXOXRCZDKLFQG-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.54
Rot. Bonds5

About 2-(benzylamino)-N-cycloheptylpyrimidine-4-carboxamide

2-(benzylamino)-N-cycloheptylpyrimidine-4-carboxamide (PubChem CID 109303634) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 2-(benzylamino)-N-cycloheptylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(benzylamino)-N-cycloheptylpyrimidine-4-carboxamide
PubChem CID109303634
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name2-(benzylamino)-N-cycloheptylpyrimidine-4-carboxamide
SMILESO=C(NC1CCCCCC1)c1ccnc(NCc2ccccc2)n1
InChIInChI=1S/C19H24N4O/c24-18(22-16-10-6-1-2-7-11-16)17-12-13-20-19(23-17)21-14-15-8-4-3-5-9-15/h3-5,8-9,12-13,16H,1-2,6-7,10-11,14H2,(H,22,24)(H,20,21,23)
InChIKeyXLXOXRCZDKLFQG-UHFFFAOYSA-N
XLogP3.54
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109307486
N-cyclopentyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109298065
N-cyclohexyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109298801
N-cyclohexyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109298788
N-cyclopentyl-2-(propylamino)pyrimidine-4-carboxamide
CID 109294728
N-cycloheptyl-2-(2-methoxyethylamino)pyrimidine-4-carboxamide
CID 109299667
N-cycloheptyl-2-(cycloheptylamino)pyrimidine-4-carboxamide
CID 109311427
N-cyclohexyl-2-(cyclohexylamino)pyrimidine-4-carboxamide
CID 109298589
2-(1,3-benzodioxol-5-ylmethylamino)-N-cyclohexylpyrimidine-4-carboxamide
CID 109298799
2-[2-(3-chlorophenyl)ethylamino]-N-cyclopentylpyrimidine-4-carboxamide
CID 109298111
2-(benzylamino)-N-phenylpyrimidine-4-carboxamide
CID 109303645
N-cycloheptyl-2-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109304746

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-N-cycloheptylpyrimidine-4-carboxamide?
The IUPAC name of 2-(benzylamino)-N-cycloheptylpyrimidine-4-carboxamide (CID 109303634) is 2-(benzylamino)-N-cycloheptylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(benzylamino)-N-cycloheptylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(benzylamino)-N-cycloheptylpyrimidine-4-carboxamide is O=C(NC1CCCCCC1)c1ccnc(NCc2ccccc2)n1.
What is the InChIKey of 2-(benzylamino)-N-cycloheptylpyrimidine-4-carboxamide?
The InChIKey is XLXOXRCZDKLFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c24-18(22-16-10-6-1-2-7-11-16)17-12-13-20-19(23-17)21-14-15-8-4-3-5-9-15/h3-5,8-9,12-13,16H,1-2,6-7,10-11,14H2,(H,22,24)(H,20,21,23).
What are the key properties of 2-(benzylamino)-N-cycloheptylpyrimidine-4-carboxamide?
2-(benzylamino)-N-cycloheptylpyrimidine-4-carboxamide has a molecular weight of 324.43 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-N-cycloheptylpyrimidine-4-carboxamide is sourced from PubChem (CID 109303634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).