N-[(3,4-dimethoxyphenyl)methyl]-2-(dipropylamino)pyrimidine-4-carboxamide

C20H28N4O3 — CID 109309886

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2-(dipropylamino)pyrimidine-4-carboxamide
SMILESCCCN(CCC)c1nccc(C(=O)NCc2ccc(OC)c(OC)c2)n1
InChIInChI=1S/C20H28N4O3/c1-5-11-24(12-6-2)20-21-10-9-16(23-20)19(25)22-14-15-7-8-17(26-3)18(13-15)27-4/h7-10,13H,5-6,11-12,14H2,1-4H3,(H,22,25)
InChIKeyFKOABSOSMWTIOU-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.05
Rot. Bonds10

About N-[(3,4-dimethoxyphenyl)methyl]-2-(dipropylamino)pyrimidine-4-carboxamide

N-[(3,4-dimethoxyphenyl)methyl]-2-(dipropylamino)pyrimidine-4-carboxamide (PubChem CID 109309886) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2-(dipropylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2-(dipropylamino)pyrimidine-4-carboxamide
PubChem CID109309886
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2-(dipropylamino)pyrimidine-4-carboxamide
SMILESCCCN(CCC)c1nccc(C(=O)NCc2ccc(OC)c(OC)c2)n1
InChIInChI=1S/C20H28N4O3/c1-5-11-24(12-6-2)20-21-10-9-16(23-20)19(25)22-14-15-7-8-17(26-3)18(13-15)27-4/h7-10,13H,5-6,11-12,14H2,1-4H3,(H,22,25)
InChIKeyFKOABSOSMWTIOU-UHFFFAOYSA-N
XLogP3.05
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3,4-dimethoxyphenyl)methylamino]-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109304602
N-(5-chloro-2-methoxyphenyl)-2-(dipropylamino)pyrimidine-4-carboxamide
CID 109312912
2-(cyclopentylamino)-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109297894
2-(4-chloroanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109309907
6-chloro-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide
CID 62234893
2-N-[(3,4-dimethoxyphenyl)methyl]-4-N-pentylpyridine-2,4-dicarboxamide
CID 109088557
N-[(3,4-dimethoxyphenyl)methyl]-2-(2,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109309895
2-(3-chloroanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109309906
N-[(4-fluoro-3-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 68746957
N-[(4-chlorophenyl)methyl]-2-(diethylamino)pyrimidine-4-carboxamide
CID 109306052
2-[(3,4-dimethoxyphenyl)methylamino]-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109303450
6-[butyl(methyl)amino]-N-[(3,4-dimethoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109372834

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-(dipropylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-(dipropylamino)pyrimidine-4-carboxamide (CID 109309886) is N-[(3,4-dimethoxyphenyl)methyl]-2-(dipropylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2-(dipropylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2-(dipropylamino)pyrimidine-4-carboxamide is CCCN(CCC)c1nccc(C(=O)NCc2ccc(OC)c(OC)c2)n1.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2-(dipropylamino)pyrimidine-4-carboxamide?
The InChIKey is FKOABSOSMWTIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-5-11-24(12-6-2)20-21-10-9-16(23-20)19(25)22-14-15-7-8-17(26-3)18(13-15)27-4/h7-10,13H,5-6,11-12,14H2,1-4H3,(H,22,25).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2-(dipropylamino)pyrimidine-4-carboxamide?
N-[(3,4-dimethoxyphenyl)methyl]-2-(dipropylamino)pyrimidine-4-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 3.05, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-2-(dipropylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109309886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).