N-benzyl-6-(butan-2-ylamino)-N-ethyl-2-methylpyrimidine-4-carboxamide

C19H26N4O — CID 109362341

IUPACN-benzyl-6-(butan-2-ylamino)-N-ethyl-2-methylpyrimidine-4-carboxamide
SMILESCCC(C)Nc1cc(C(=O)N(CC)Cc2ccccc2)nc(C)n1
InChIInChI=1S/C19H26N4O/c1-5-14(3)20-18-12-17(21-15(4)22-18)19(24)23(6-2)13-16-10-8-7-9-11-16/h7-12,14H,5-6,13H2,1-4H3,(H,20,21,22)
InChIKeyQEDWDTYXDFLWRJ-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.66
Rot. Bonds7

About N-benzyl-6-(butan-2-ylamino)-N-ethyl-2-methylpyrimidine-4-carboxamide

N-benzyl-6-(butan-2-ylamino)-N-ethyl-2-methylpyrimidine-4-carboxamide (PubChem CID 109362341) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is N-benzyl-6-(butan-2-ylamino)-N-ethyl-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-(butan-2-ylamino)-N-ethyl-2-methylpyrimidine-4-carboxamide
PubChem CID109362341
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC NameN-benzyl-6-(butan-2-ylamino)-N-ethyl-2-methylpyrimidine-4-carboxamide
SMILESCCC(C)Nc1cc(C(=O)N(CC)Cc2ccccc2)nc(C)n1
InChIInChI=1S/C19H26N4O/c1-5-14(3)20-18-12-17(21-15(4)22-18)19(24)23(6-2)13-16-10-8-7-9-11-16/h7-12,14H,5-6,13H2,1-4H3,(H,20,21,22)
InChIKeyQEDWDTYXDFLWRJ-UHFFFAOYSA-N
XLogP3.66
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-benzyl-6-(butan-2-ylamino)-N-ethyl-2-methylpyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-6-(butan-2-ylamino)-N-ethylpyrimidine-4-carboxamide
CID 109340603
N-benzyl-N,2-dimethyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109360400
N-benzyl-N-ethyl-5-methyl-1-propan-2-ylpyrazole-3-carboxamide
CID 110681550
N-benzyl-N-ethyl-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109364114
6-[benzyl(methyl)amino]-N,N-diethyl-2-methylpyrimidine-4-carboxamide
CID 109369359
[6-(butan-2-ylamino)-2-methylpyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109362356
N-benzyl-6-(butan-2-ylamino)-N-methylpyrimidine-4-carboxamide
CID 109340595
N,N-diethyl-2-methyl-6-(2-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109373430
N-(2-bromophenyl)-6-(butan-2-ylamino)-2-methylpyrimidine-4-carboxamide
CID 109362467
N-benzyl-2-methyl-6-(2-methylpropylamino)-N-phenylpyrimidine-4-carboxamide
CID 109362083
N-benzyl-6-(cyclopropylamino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360842
6-(butan-2-ylamino)-N-(2-methoxyethyl)-2-methylpyrimidine-4-carboxamide
CID 109362317

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-(butan-2-ylamino)-N-ethyl-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-benzyl-6-(butan-2-ylamino)-N-ethyl-2-methylpyrimidine-4-carboxamide (CID 109362341) is N-benzyl-6-(butan-2-ylamino)-N-ethyl-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-benzyl-6-(butan-2-ylamino)-N-ethyl-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-benzyl-6-(butan-2-ylamino)-N-ethyl-2-methylpyrimidine-4-carboxamide is CCC(C)Nc1cc(C(=O)N(CC)Cc2ccccc2)nc(C)n1.
What is the InChIKey of N-benzyl-6-(butan-2-ylamino)-N-ethyl-2-methylpyrimidine-4-carboxamide?
The InChIKey is QEDWDTYXDFLWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-5-14(3)20-18-12-17(21-15(4)22-18)19(24)23(6-2)13-16-10-8-7-9-11-16/h7-12,14H,5-6,13H2,1-4H3,(H,20,21,22).
What are the key properties of N-benzyl-6-(butan-2-ylamino)-N-ethyl-2-methylpyrimidine-4-carboxamide?
N-benzyl-6-(butan-2-ylamino)-N-ethyl-2-methylpyrimidine-4-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-(butan-2-ylamino)-N-ethyl-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109362341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).