N-(4-methylphenyl)-6-(oxolan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxamide

C23H24N4O2 — CID 112853553

IUPACN-(4-methylphenyl)-6-(oxolan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(NCC3CCCO3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C23H24N4O2/c1-16-9-11-18(12-10-16)25-23(28)20-14-21(24-15-19-8-5-13-29-19)27-22(26-20)17-6-3-2-4-7-17/h2-4,6-7,9-12,14,19H,5,8,13,15H2,1H3,(H,25,28)(H,24,26,27)
InChIKeyPCOKCEWAHPEPCR-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.30
Rot. Bonds6

About N-(4-methylphenyl)-6-(oxolan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxamide

N-(4-methylphenyl)-6-(oxolan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxamide (PubChem CID 112853553) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-(4-methylphenyl)-6-(oxolan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-6-(oxolan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxamide
PubChem CID112853553
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC NameN-(4-methylphenyl)-6-(oxolan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(NCC3CCCO3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C23H24N4O2/c1-16-9-11-18(12-10-16)25-23(28)20-14-21(24-15-19-8-5-13-29-19)27-22(26-20)17-6-3-2-4-7-17/h2-4,6-7,9-12,14,19H,5,8,13,15H2,1H3,(H,25,28)(H,24,26,27)
InChIKeyPCOKCEWAHPEPCR-UHFFFAOYSA-N
XLogP4.30
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methylphenyl)-6-(2-methylpropylamino)-2-phenylpyrimidine-4-carboxamide
CID 112852390
N-(4-methoxyphenyl)-2-methyl-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109365780
N-(4-methylphenyl)-2-phenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 112851525
N-(2,6-dimethylphenyl)-2-methyl-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109365751
6-[2-(dimethylamino)ethylamino]-N-(4-methylphenyl)-2-phenylpyrimidine-4-carboxamide
CID 112853626
(4-ethylpiperazin-1-yl)-[6-(oxolan-2-ylmethylamino)-2-phenylpyrimidin-4-yl]methanone
CID 112853533
6-(cycloheptylamino)-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4-carboxamide
CID 112853574
2-N-(4-methylphenyl)-4-N-(oxolan-2-ylmethyl)-6-phenylpyrimidine-2,4-diamine
CID 112935644
5-(oxolan-2-ylmethylamino)-N-phenylpyridine-2-carboxamide
CID 109185172
N-(3-cyanophenyl)-2-methyl-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109365824
6-hydrazinyl-N-(oxolan-2-ylmethyl)-2-phenylpyrimidin-4-amine
CID 115916260
6-N-[(2-methylphenyl)methyl]-4-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine
CID 112880613

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-6-(oxolan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxamide?
The IUPAC name of N-(4-methylphenyl)-6-(oxolan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxamide (CID 112853553) is N-(4-methylphenyl)-6-(oxolan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-6-(oxolan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-6-(oxolan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxamide is Cc1ccc(NC(=O)c2cc(NCC3CCCO3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of N-(4-methylphenyl)-6-(oxolan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxamide?
The InChIKey is PCOKCEWAHPEPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-16-9-11-18(12-10-16)25-23(28)20-14-21(24-15-19-8-5-13-29-19)27-22(26-20)17-6-3-2-4-7-17/h2-4,6-7,9-12,14,19H,5,8,13,15H2,1H3,(H,25,28)(H,24,26,27).
What are the key properties of N-(4-methylphenyl)-6-(oxolan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxamide?
N-(4-methylphenyl)-6-(oxolan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-6-(oxolan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 112853553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).