N-[(2-methoxyphenyl)methyl]-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide

C22H24N4O2 — CID 109257822

IUPACN-[(2-methoxyphenyl)methyl]-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cnc(Nc2ccc(C(C)C)cc2)nc1
InChIInChI=1S/C22H24N4O2/c1-15(2)16-8-10-19(11-9-16)26-22-24-13-18(14-25-22)21(27)23-12-17-6-4-5-7-20(17)28-3/h4-11,13-15H,12H2,1-3H3,(H,23,27)(H,24,25,26)
InChIKeyMSRUWEGNWNYIHX-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.28
Rot. Bonds7

About N-[(2-methoxyphenyl)methyl]-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide

N-[(2-methoxyphenyl)methyl]-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide (PubChem CID 109257822) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide
PubChem CID109257822
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cnc(Nc2ccc(C(C)C)cc2)nc1
InChIInChI=1S/C22H24N4O2/c1-15(2)16-8-10-19(11-9-16)26-22-24-13-18(14-25-22)21(27)23-12-17-6-4-5-7-20(17)28-3/h4-11,13-15H,12H2,1-3H3,(H,23,27)(H,24,25,26)
InChIKeyMSRUWEGNWNYIHX-UHFFFAOYSA-N
XLogP4.28
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 ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloroanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 109257832
2-(4-fluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 109257829
2-[(2-methoxyphenyl)methylamino]-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109257924
N-[(2-methoxyphenyl)methyl]-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109257821
2-(3-methoxyanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 109257842
2-[(2-methoxyphenyl)methylamino]-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 109248461
2-(2,4-difluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 109257864
2-(4-propan-2-ylanilino)-N-propylpyrimidine-5-carboxamide
CID 109246574
N-(3,4-dimethoxyphenyl)-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109267979
N-[(3-methylphenyl)methyl]-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109255870
N-[(2-methoxyphenyl)methyl]-N'-(4-propan-2-ylphenyl)oxamide
CID 2175728
N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 110466860

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide (CID 109257822) is N-[(2-methoxyphenyl)methyl]-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide is COc1ccccc1CNC(=O)c1cnc(Nc2ccc(C(C)C)cc2)nc1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide?
The InChIKey is MSRUWEGNWNYIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-15(2)16-8-10-19(11-9-16)26-22-24-13-18(14-25-22)21(27)23-12-17-6-4-5-7-20(17)28-3/h4-11,13-15H,12H2,1-3H3,(H,23,27)(H,24,25,26).
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide?
N-[(2-methoxyphenyl)methyl]-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 4.28, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109257822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).