N-benzyl-6-[benzyl(methyl)amino]-N-propan-2-ylpyrimidine-4-carboxamide

C23H26N4O — CID 109347788

IUPACN-benzyl-6-[benzyl(methyl)amino]-N-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)c1cc(N(C)Cc2ccccc2)ncn1
InChIInChI=1S/C23H26N4O/c1-18(2)27(16-20-12-8-5-9-13-20)23(28)21-14-22(25-17-24-21)26(3)15-19-10-6-4-7-11-19/h4-14,17-18H,15-16H2,1-3H3
InChIKeyKWQAPAOAMDHOPN-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.16
Rot. Bonds7

About N-benzyl-6-[benzyl(methyl)amino]-N-propan-2-ylpyrimidine-4-carboxamide

N-benzyl-6-[benzyl(methyl)amino]-N-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 109347788) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is N-benzyl-6-[benzyl(methyl)amino]-N-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-[benzyl(methyl)amino]-N-propan-2-ylpyrimidine-4-carboxamide
PubChem CID109347788
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC NameN-benzyl-6-[benzyl(methyl)amino]-N-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)c1cc(N(C)Cc2ccccc2)ncn1
InChIInChI=1S/C23H26N4O/c1-18(2)27(16-20-12-8-5-9-13-20)23(28)21-14-22(25-17-24-21)26(3)15-19-10-6-4-7-11-19/h4-14,17-18H,15-16H2,1-3H3
InChIKeyKWQAPAOAMDHOPN-UHFFFAOYSA-N
XLogP4.16
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-propan-2-ylpyridine-2-carboxamide
CID 42778097
N-benzyl-6-[(4-fluorophenyl)methylamino]-N-propan-2-ylpyrimidine-4-carboxamide
CID 109348287
N-benzyl-6-[(2-fluorophenyl)methylamino]-N-propan-2-ylpyrimidine-4-carboxamide
CID 109348042
6-[benzyl(methyl)amino]pyrimidine-4-carboximidamide
CID 130551332
[6-[benzyl(methyl)amino]pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109343534
N-benzyl-5-chloro-N-propan-2-ylpyrazine-2-carboxamide
CID 103817103
N-benzyl-4-(N-ethylanilino)-N-propan-2-ylpyridine-2-carboxamide
CID 109217216
N-benzyl-N-propan-2-ylacetamide
CID 23534449
6-[benzyl(methyl)amino]-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 109347875
6-[benzyl(propan-2-yl)amino]-N-[(4-chlorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348774
6-[butyl(methyl)amino]-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109350562
methyl 3-[[6-[benzyl(methyl)amino]pyrimidine-4-carbonyl]amino]benzoate
CID 109347849

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-[benzyl(methyl)amino]-N-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of N-benzyl-6-[benzyl(methyl)amino]-N-propan-2-ylpyrimidine-4-carboxamide (CID 109347788) is N-benzyl-6-[benzyl(methyl)amino]-N-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-benzyl-6-[benzyl(methyl)amino]-N-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-benzyl-6-[benzyl(methyl)amino]-N-propan-2-ylpyrimidine-4-carboxamide is CC(C)N(Cc1ccccc1)C(=O)c1cc(N(C)Cc2ccccc2)ncn1.
What is the InChIKey of N-benzyl-6-[benzyl(methyl)amino]-N-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is KWQAPAOAMDHOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-18(2)27(16-20-12-8-5-9-13-20)23(28)21-14-22(25-17-24-21)26(3)15-19-10-6-4-7-11-19/h4-14,17-18H,15-16H2,1-3H3.
What are the key properties of N-benzyl-6-[benzyl(methyl)amino]-N-propan-2-ylpyrimidine-4-carboxamide?
N-benzyl-6-[benzyl(methyl)amino]-N-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 4.16, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-[benzyl(methyl)amino]-N-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 109347788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).