2-[(2-methoxyphenyl)methylamino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide

C18H22N4O3 — CID 109300891

IUPAC2-[(2-methoxyphenyl)methylamino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
SMILESCOc1ccccc1CNc1nccc(C(=O)NCC2CCCO2)n1
InChIInChI=1S/C18H22N4O3/c1-24-16-7-3-2-5-13(16)11-21-18-19-9-8-15(22-18)17(23)20-12-14-6-4-10-25-14/h2-3,5,7-9,14H,4,6,10-12H2,1H3,(H,20,23)(H,19,21,22)
InChIKeyUBGVVCKKCLUSSH-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.01
Rot. Bonds7

About 2-[(2-methoxyphenyl)methylamino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide

2-[(2-methoxyphenyl)methylamino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 109300891) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-[(2-methoxyphenyl)methylamino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[(2-methoxyphenyl)methylamino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
PubChem CID109300891
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name2-[(2-methoxyphenyl)methylamino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
SMILESCOc1ccccc1CNc1nccc(C(=O)NCC2CCCO2)n1
InChIInChI=1S/C18H22N4O3/c1-24-16-7-3-2-5-13(16)11-21-18-19-9-8-15(22-18)17(23)20-12-14-6-4-10-25-14/h2-3,5,7-9,14H,4,6,10-12H2,1H3,(H,20,23)(H,19,21,22)
InChIKeyUBGVVCKKCLUSSH-UHFFFAOYSA-N
XLogP2.01
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3,4-dimethoxyphenyl)methylamino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109300914
4-N-[2-(2-methoxyphenyl)ethyl]-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083280
N-(oxolan-2-ylmethyl)-2-(pentylamino)pyrimidine-4-carboxamide
CID 109300934
N'-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)propanediamide
CID 108943622
2-[(2-methoxyphenyl)methylamino]-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 109301562
N-(3,4-dimethoxyphenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109300819
2-(2-chloroanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109300970
2-(2-fluoroanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109300968
N-[(2-methoxyphenyl)methyl]-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109306256
N-[(2-methoxyphenyl)methyl]-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109306237
methyl 2-[[2-(oxolan-2-ylmethylamino)pyrimidine-4-carbonyl]amino]benzoate
CID 109300827
1-[(2-methoxyphenyl)methyl]-2-methyl-3-(oxolan-2-ylmethyl)guanidine
CID 111138447

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenyl)methylamino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-[(2-methoxyphenyl)methylamino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide (CID 109300891) is 2-[(2-methoxyphenyl)methylamino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-[(2-methoxyphenyl)methylamino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-[(2-methoxyphenyl)methylamino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide is COc1ccccc1CNc1nccc(C(=O)NCC2CCCO2)n1.
What is the InChIKey of 2-[(2-methoxyphenyl)methylamino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is UBGVVCKKCLUSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-24-16-7-3-2-5-13(16)11-21-18-19-9-8-15(22-18)17(23)20-12-14-6-4-10-25-14/h2-3,5,7-9,14H,4,6,10-12H2,1H3,(H,20,23)(H,19,21,22).
What are the key properties of 2-[(2-methoxyphenyl)methylamino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide?
2-[(2-methoxyphenyl)methylamino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyphenyl)methylamino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109300891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).