2-(oxolan-2-ylmethylamino)-N-(2-phenoxyphenyl)pyrimidine-4-carboxamide

C22H22N4O3 — CID 109300853

IUPAC2-(oxolan-2-ylmethylamino)-N-(2-phenoxyphenyl)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccccc1Oc1ccccc1)c1ccnc(NCC2CCCO2)n1
InChIInChI=1S/C22H22N4O3/c27-21(19-12-13-23-22(26-19)24-15-17-9-6-14-28-17)25-18-10-4-5-11-20(18)29-16-7-2-1-3-8-16/h1-5,7-8,10-13,17H,6,9,14-15H2,(H,25,27)(H,23,24,26)
InChIKeyBORANOCLDYWMHK-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.11
Rot. Bonds7

About 2-(oxolan-2-ylmethylamino)-N-(2-phenoxyphenyl)pyrimidine-4-carboxamide

2-(oxolan-2-ylmethylamino)-N-(2-phenoxyphenyl)pyrimidine-4-carboxamide (PubChem CID 109300853) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethylamino)-N-(2-phenoxyphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(oxolan-2-ylmethylamino)-N-(2-phenoxyphenyl)pyrimidine-4-carboxamide
PubChem CID109300853
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name2-(oxolan-2-ylmethylamino)-N-(2-phenoxyphenyl)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccccc1Oc1ccccc1)c1ccnc(NCC2CCCO2)n1
InChIInChI=1S/C22H22N4O3/c27-21(19-12-13-23-22(26-19)24-15-17-9-6-14-28-17)25-18-10-4-5-11-20(18)29-16-7-2-1-3-8-16/h1-5,7-8,10-13,17H,6,9,14-15H2,(H,25,27)(H,23,24,26)
InChIKeyBORANOCLDYWMHK-UHFFFAOYSA-N
XLogP4.11
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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-(cyclopentylamino)-N-(2-phenoxyphenyl)pyrimidine-4-carboxamide
CID 109298011
4-N-(oxolan-2-ylmethyl)-2-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112886819
5-(oxolan-2-ylmethylamino)-N-(2-phenoxyphenyl)pyridine-3-carboxamide
CID 109229065
2-(butylamino)-N-(2-phenoxyphenyl)pyrimidine-4-carboxamide
CID 109296477
N-(3,4-dimethoxyphenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109300819
2-(3-methoxypropylamino)-N-(2-phenoxyphenyl)pyrimidine-4-carboxamide
CID 109300132
5-(oxolan-2-ylmethylamino)-N-(4-phenoxyphenyl)pyridine-2-carboxamide
CID 109185242
2-[(2-methoxyphenyl)methylamino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109300891
2-(oxolan-2-ylmethylamino)-N-(4-phenoxyphenyl)pyrimidine-5-carboxamide
CID 109252640
4-[[(2R)-oxolan-2-yl]methylsulfamoyl]-N-(2-phenoxyphenyl)benzamide
CID 25412976

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethylamino)-N-(2-phenoxyphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(oxolan-2-ylmethylamino)-N-(2-phenoxyphenyl)pyrimidine-4-carboxamide (CID 109300853) is 2-(oxolan-2-ylmethylamino)-N-(2-phenoxyphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(oxolan-2-ylmethylamino)-N-(2-phenoxyphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(oxolan-2-ylmethylamino)-N-(2-phenoxyphenyl)pyrimidine-4-carboxamide is O=C(Nc1ccccc1Oc1ccccc1)c1ccnc(NCC2CCCO2)n1.
What is the InChIKey of 2-(oxolan-2-ylmethylamino)-N-(2-phenoxyphenyl)pyrimidine-4-carboxamide?
The InChIKey is BORANOCLDYWMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c27-21(19-12-13-23-22(26-19)24-15-17-9-6-14-28-17)25-18-10-4-5-11-20(18)29-16-7-2-1-3-8-16/h1-5,7-8,10-13,17H,6,9,14-15H2,(H,25,27)(H,23,24,26).
What are the key properties of 2-(oxolan-2-ylmethylamino)-N-(2-phenoxyphenyl)pyrimidine-4-carboxamide?
2-(oxolan-2-ylmethylamino)-N-(2-phenoxyphenyl)pyrimidine-4-carboxamide has a molecular weight of 390.44 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethylamino)-N-(2-phenoxyphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109300853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).