N-benzyl-2-(dipropylamino)-N-ethylpyrimidine-4-carboxamide

C20H28N4O — CID 109306808

IUPACN-benzyl-2-(dipropylamino)-N-ethylpyrimidine-4-carboxamide
SMILESCCCN(CCC)c1nccc(C(=O)N(CC)Cc2ccccc2)n1
InChIInChI=1S/C20H28N4O/c1-4-14-24(15-5-2)20-21-13-12-18(22-20)19(25)23(6-3)16-17-10-8-7-9-11-17/h7-13H,4-6,14-16H2,1-3H3
InChIKeyORDFEKQNIXQEIY-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.77
Rot. Bonds9

About N-benzyl-2-(dipropylamino)-N-ethylpyrimidine-4-carboxamide

N-benzyl-2-(dipropylamino)-N-ethylpyrimidine-4-carboxamide (PubChem CID 109306808) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is N-benzyl-2-(dipropylamino)-N-ethylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(dipropylamino)-N-ethylpyrimidine-4-carboxamide
PubChem CID109306808
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC NameN-benzyl-2-(dipropylamino)-N-ethylpyrimidine-4-carboxamide
SMILESCCCN(CCC)c1nccc(C(=O)N(CC)Cc2ccccc2)n1
InChIInChI=1S/C20H28N4O/c1-4-14-24(15-5-2)20-21-13-12-18(22-20)19(25)23(6-3)16-17-10-8-7-9-11-17/h7-13H,4-6,14-16H2,1-3H3
InChIKeyORDFEKQNIXQEIY-UHFFFAOYSA-N
XLogP3.77
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl(methyl)amino]-N,N-diethylpyrimidine-4-carboxamide
CID 109305008
N-benzyl-5-(dipropylamino)-N-ethylpyridine-2-carboxamide
CID 109190727
6-N-benzyl-2-N-butyl-6-N-ethyl-2-N-methylpyridine-2,6-dicarboxamide
CID 109098082
N-benzyl-N-ethyl-2-(pentylamino)pyrimidine-4-carboxamide
CID 109306804
6-N-benzyl-6-N-ethyl-2-N-propylpyridine-2,6-dicarboxamide
CID 109093457
2-[benzyl(methyl)amino]-N-butyl-N-methylpyrimidine-4-carboxamide
CID 109305016
2-(dipropylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109309038
azepan-1-yl-[2-[benzyl(ethyl)amino]pyrimidin-4-yl]methanone
CID 109306711
2-[benzyl(methyl)amino]-N-ethyl-N-phenylpyrimidine-4-carboxamide
CID 109305037
N-benzyl-N-ethyl-2-methyltriazole-4-carboxamide
CID 110691383
N-benzyl-N-octylpyridine-2-carboxamide
CID 42778827
N-benzyl-2-(2,4-difluoroanilino)-N-ethylpyrimidine-4-carboxamide
CID 109306869

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(dipropylamino)-N-ethylpyrimidine-4-carboxamide?
The IUPAC name of N-benzyl-2-(dipropylamino)-N-ethylpyrimidine-4-carboxamide (CID 109306808) is N-benzyl-2-(dipropylamino)-N-ethylpyrimidine-4-carboxamide.
What is the SMILES notation for N-benzyl-2-(dipropylamino)-N-ethylpyrimidine-4-carboxamide?
The canonical SMILES for N-benzyl-2-(dipropylamino)-N-ethylpyrimidine-4-carboxamide is CCCN(CCC)c1nccc(C(=O)N(CC)Cc2ccccc2)n1.
What is the InChIKey of N-benzyl-2-(dipropylamino)-N-ethylpyrimidine-4-carboxamide?
The InChIKey is ORDFEKQNIXQEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-4-14-24(15-5-2)20-21-13-12-18(22-20)19(25)23(6-3)16-17-10-8-7-9-11-17/h7-13H,4-6,14-16H2,1-3H3.
What are the key properties of N-benzyl-2-(dipropylamino)-N-ethylpyrimidine-4-carboxamide?
N-benzyl-2-(dipropylamino)-N-ethylpyrimidine-4-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 3.77, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(dipropylamino)-N-ethylpyrimidine-4-carboxamide is sourced from PubChem (CID 109306808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).