N-[(4-methylphenyl)methyl]-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide

C22H24N4O2 — CID 109347466

IUPACN-[(4-methylphenyl)methyl]-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(Nc3ccc(OC(C)C)cc3)ncn2)cc1
InChIInChI=1S/C22H24N4O2/c1-15(2)28-19-10-8-18(9-11-19)26-21-12-20(24-14-25-21)22(27)23-13-17-6-4-16(3)5-7-17/h4-12,14-15H,13H2,1-3H3,(H,23,27)(H,24,25,26)
InChIKeyCKDUHTNTISZZDJ-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.25
Rot. Bonds7

About N-[(4-methylphenyl)methyl]-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide

N-[(4-methylphenyl)methyl]-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide (PubChem CID 109347466) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
PubChem CID109347466
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-[(4-methylphenyl)methyl]-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(Nc3ccc(OC(C)C)cc3)ncn2)cc1
InChIInChI=1S/C22H24N4O2/c1-15(2)28-19-10-8-18(9-11-19)26-21-12-20(24-14-25-21)22(27)23-13-17-6-4-16(3)5-7-17/h4-12,14-15H,13H2,1-3H3,(H,23,27)(H,24,25,26)
InChIKeyCKDUHTNTISZZDJ-UHFFFAOYSA-N
XLogP4.25
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-ethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109347444
6-(4-bromoanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109347458
6-(4-chloroanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109347450
N-benzyl-6-(4-methylanilino)pyrimidine-4-carboxamide
CID 109346679
N-propan-2-yl-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109338961
6-(4-propan-2-yloxyanilino)-N-prop-2-enylpyrimidine-4-carboxamide
CID 109339744
N-(furan-2-ylmethyl)-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109346404
N-[(4-chlorophenyl)methyl]-6-(4-ethoxyanilino)pyrimidine-4-carboxamide
CID 109348808
6-(3-chloro-4-fluoroanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109347455
N-[2-(cyclohexen-1-yl)ethyl]-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109342707
6-(2,6-dimethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109347441
N-benzyl-6-(4-ethylanilino)pyrimidine-4-carboxamide
CID 109346690

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide (CID 109347466) is N-[(4-methylphenyl)methyl]-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide is Cc1ccc(CNC(=O)c2cc(Nc3ccc(OC(C)C)cc3)ncn2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide?
The InChIKey is CKDUHTNTISZZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-15(2)28-19-10-8-18(9-11-19)26-21-12-20(24-14-25-21)22(27)23-13-17-6-4-16(3)5-7-17/h4-12,14-15H,13H2,1-3H3,(H,23,27)(H,24,25,26).
What are the key properties of N-[(4-methylphenyl)methyl]-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide?
N-[(4-methylphenyl)methyl]-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 4.25, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109347466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).