2-(oxolan-2-ylmethylamino)-N-(4-phenoxyphenyl)pyrimidine-5-carboxamide

C22H22N4O3 — CID 109252640

IUPAC2-(oxolan-2-ylmethylamino)-N-(4-phenoxyphenyl)pyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)c1cnc(NCC2CCCO2)nc1
InChIInChI=1S/C22H22N4O3/c27-21(16-13-23-22(24-14-16)25-15-20-7-4-12-28-20)26-17-8-10-19(11-9-17)29-18-5-2-1-3-6-18/h1-3,5-6,8-11,13-14,20H,4,7,12,15H2,(H,26,27)(H,23,24,25)
InChIKeyTWEIMNYFODHCOM-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.11
Rot. Bonds7

About 2-(oxolan-2-ylmethylamino)-N-(4-phenoxyphenyl)pyrimidine-5-carboxamide

2-(oxolan-2-ylmethylamino)-N-(4-phenoxyphenyl)pyrimidine-5-carboxamide (PubChem CID 109252640) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethylamino)-N-(4-phenoxyphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(oxolan-2-ylmethylamino)-N-(4-phenoxyphenyl)pyrimidine-5-carboxamide
PubChem CID109252640
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name2-(oxolan-2-ylmethylamino)-N-(4-phenoxyphenyl)pyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)c1cnc(NCC2CCCO2)nc1
InChIInChI=1S/C22H22N4O3/c27-21(16-13-23-22(24-14-16)25-15-20-7-4-12-28-20)26-17-8-10-19(11-9-17)29-18-5-2-1-3-6-18/h1-3,5-6,8-11,13-14,20H,4,7,12,15H2,(H,26,27)(H,23,24,25)
InChIKeyTWEIMNYFODHCOM-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

5-(oxolan-2-ylmethylamino)-N-(4-phenoxyphenyl)pyridine-2-carboxamide
CID 109185242
N-(4-chlorophenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109252599
N-(4-acetylphenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109252625
methyl 3-[[2-(oxolan-2-ylmethylamino)pyrimidine-5-carbonyl]amino]benzoate
CID 109252629
5-(oxolan-2-ylmethylamino)-N-phenylpyridine-2-carboxamide
CID 109185172
N-(oxolan-2-ylmethyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109252326
2-(3-methylbutylamino)-N-(4-phenoxyphenyl)pyrimidine-5-carboxamide
CID 109263592
2-anilino-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-5-carboxamide
CID 97126626
2-(oxolan-2-ylmethylamino)-N-(3-phenylpropyl)pyrimidine-5-carboxamide
CID 109252554
5-(oxolan-2-ylmethylamino)-N-(2-phenoxyphenyl)pyridine-3-carboxamide
CID 109229065
N-(oxolan-2-ylmethyl)-4-(4-phenoxyanilino)pyridine-2-carboxamide
CID 109206872
2-(oxolan-2-ylmethylamino)-N-(2-phenoxyphenyl)pyrimidine-4-carboxamide
CID 109300853

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethylamino)-N-(4-phenoxyphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(oxolan-2-ylmethylamino)-N-(4-phenoxyphenyl)pyrimidine-5-carboxamide (CID 109252640) is 2-(oxolan-2-ylmethylamino)-N-(4-phenoxyphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(oxolan-2-ylmethylamino)-N-(4-phenoxyphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(oxolan-2-ylmethylamino)-N-(4-phenoxyphenyl)pyrimidine-5-carboxamide is O=C(Nc1ccc(Oc2ccccc2)cc1)c1cnc(NCC2CCCO2)nc1.
What is the InChIKey of 2-(oxolan-2-ylmethylamino)-N-(4-phenoxyphenyl)pyrimidine-5-carboxamide?
The InChIKey is TWEIMNYFODHCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c27-21(16-13-23-22(24-14-16)25-15-20-7-4-12-28-20)26-17-8-10-19(11-9-17)29-18-5-2-1-3-6-18/h1-3,5-6,8-11,13-14,20H,4,7,12,15H2,(H,26,27)(H,23,24,25).
What are the key properties of 2-(oxolan-2-ylmethylamino)-N-(4-phenoxyphenyl)pyrimidine-5-carboxamide?
2-(oxolan-2-ylmethylamino)-N-(4-phenoxyphenyl)pyrimidine-5-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-(4-phenoxyphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109252640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).