N-(3,4-dimethoxyphenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide

C18H22N4O4 — CID 109300819

IUPACN-(3,4-dimethoxyphenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2ccnc(NCC3CCCO3)n2)cc1OC
InChIInChI=1S/C18H22N4O4/c1-24-15-6-5-12(10-16(15)25-2)21-17(23)14-7-8-19-18(22-14)20-11-13-4-3-9-26-13/h5-8,10,13H,3-4,9,11H2,1-2H3,(H,21,23)(H,19,20,22)
InChIKeyRWQHPOUJKQEJLO-UHFFFAOYSA-N
MW358.40 g/mol
LogP2.34
Rot. Bonds7

About N-(3,4-dimethoxyphenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide

N-(3,4-dimethoxyphenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide (PubChem CID 109300819) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
PubChem CID109300819
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC NameN-(3,4-dimethoxyphenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2ccnc(NCC3CCCO3)n2)cc1OC
InChIInChI=1S/C18H22N4O4/c1-24-15-6-5-12(10-16(15)25-2)21-17(23)14-7-8-19-18(22-14)20-11-13-4-3-9-26-13/h5-8,10,13H,3-4,9,11H2,1-2H3,(H,21,23)(H,19,20,22)
InChIKeyRWQHPOUJKQEJLO-UHFFFAOYSA-N
XLogP2.34
TPSA94.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(3,4-dimethoxyphenyl)methylamino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109300914
methyl 2-[[2-(oxolan-2-ylmethylamino)pyrimidine-4-carbonyl]amino]benzoate
CID 109300827
N-(2,3-dimethylphenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109300782
2-[(2-methoxyphenyl)methylamino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109300891
2-[(4-chlorophenyl)methylamino]-N-(3,4-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109306011
2-(oxolan-2-ylmethylamino)-N-(2-phenoxyphenyl)pyrimidine-4-carboxamide
CID 109300853
3,4,5-trimethoxy-N-[4-(oxolan-2-ylmethylamino)phenyl]benzamide
CID 112981189
N-(3,4-dimethoxyphenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide
CID 109301799
5-(3,4-dimethoxyanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109185044
N-[(3,4-dimethoxyphenyl)methyl]-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide
CID 109185142
N'-(3,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)propanediamide
CID 108943726
N-(3-methoxyphenyl)-4-(oxolan-2-ylmethylamino)pyridine-2-carboxamide
CID 109207018

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide (CID 109300819) is N-(3,4-dimethoxyphenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide is COc1ccc(NC(=O)c2ccnc(NCC3CCCO3)n2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide?
The InChIKey is RWQHPOUJKQEJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-24-15-6-5-12(10-16(15)25-2)21-17(23)14-7-8-19-18(22-14)20-11-13-4-3-9-26-13/h5-8,10,13H,3-4,9,11H2,1-2H3,(H,21,23)(H,19,20,22).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide?
N-(3,4-dimethoxyphenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109300819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).