6-(benzylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide

C21H22N4O2 — CID 109346565

IUPAC6-(benzylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)c2cc(NCc3ccccc3)ncn2)cc1
InChIInChI=1S/C21H22N4O2/c1-15(2)27-18-10-8-17(9-11-18)25-21(26)19-12-20(24-14-23-19)22-13-16-6-4-3-5-7-16/h3-12,14-15H,13H2,1-2H3,(H,25,26)(H,22,23,24)
InChIKeyQGHRMEQJXGWHAL-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.13
Rot. Bonds7

About 6-(benzylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide

6-(benzylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide (PubChem CID 109346565) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 6-(benzylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(benzylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
PubChem CID109346565
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name6-(benzylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)c2cc(NCc3ccccc3)ncn2)cc1
InChIInChI=1S/C21H22N4O2/c1-15(2)27-18-10-8-17(9-11-18)25-21(26)19-12-20(24-14-23-19)22-13-16-6-4-3-5-7-16/h3-12,14-15H,13H2,1-2H3,(H,25,26)(H,22,23,24)
InChIKeyQGHRMEQJXGWHAL-UHFFFAOYSA-N
XLogP4.13
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(benzylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(butylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109339940
6-(benzylamino)-N-(4-bromo-3-methylphenyl)pyrimidine-4-carboxamide
CID 109346592
N-phenyl-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109350174
6-[(4-chlorophenyl)methylamino]-N-phenylpyrimidine-4-carboxamide
CID 109348697
6-[(4-fluorophenyl)methylamino]-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109348330
N-(4-ethoxyphenyl)-6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109349110
6-(benzylamino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109346582
N-(4-propan-2-ylphenyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109350192
6-(benzylamino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109346618
N-(4-methoxyphenyl)-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109349642
6-(cycloheptylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109354003
6-(benzylamino)-N-(2-chlorophenyl)pyrimidine-4-carboxamide
CID 109346545

Frequently Asked Questions

What is the IUPAC name of 6-(benzylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(benzylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide (CID 109346565) is 6-(benzylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(benzylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(benzylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide is CC(C)Oc1ccc(NC(=O)c2cc(NCc3ccccc3)ncn2)cc1.
What is the InChIKey of 6-(benzylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide?
The InChIKey is QGHRMEQJXGWHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-15(2)27-18-10-8-17(9-11-18)25-21(26)19-12-20(24-14-23-19)22-13-16-6-4-3-5-7-16/h3-12,14-15H,13H2,1-2H3,(H,25,26)(H,22,23,24).
What are the key properties of 6-(benzylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide?
6-(benzylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 4.13, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109346565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).