2-[(2-methoxyphenyl)methylamino]-N-(4-propan-2-yloxyphenyl)pyrimidine-5-carboxamide

C22H24N4O3 — CID 109257950

IUPAC2-[(2-methoxyphenyl)methylamino]-N-(4-propan-2-yloxyphenyl)pyrimidine-5-carboxamide
SMILESCOc1ccccc1CNc1ncc(C(=O)Nc2ccc(OC(C)C)cc2)cn1
InChIInChI=1S/C22H24N4O3/c1-15(2)29-19-10-8-18(9-11-19)26-21(27)17-13-24-22(25-14-17)23-12-16-6-4-5-7-20(16)28-3/h4-11,13-15H,12H2,1-3H3,(H,26,27)(H,23,24,25)
InChIKeySUTSBYFLFNDQGV-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.14
Rot. Bonds8

About 2-[(2-methoxyphenyl)methylamino]-N-(4-propan-2-yloxyphenyl)pyrimidine-5-carboxamide

2-[(2-methoxyphenyl)methylamino]-N-(4-propan-2-yloxyphenyl)pyrimidine-5-carboxamide (PubChem CID 109257950) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-[(2-methoxyphenyl)methylamino]-N-(4-propan-2-yloxyphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(2-methoxyphenyl)methylamino]-N-(4-propan-2-yloxyphenyl)pyrimidine-5-carboxamide
PubChem CID109257950
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name2-[(2-methoxyphenyl)methylamino]-N-(4-propan-2-yloxyphenyl)pyrimidine-5-carboxamide
SMILESCOc1ccccc1CNc1ncc(C(=O)Nc2ccc(OC(C)C)cc2)cn1
InChIInChI=1S/C22H24N4O3/c1-15(2)29-19-10-8-18(9-11-19)26-21(27)17-13-24-22(25-14-17)23-12-16-6-4-5-7-20(16)28-3/h4-11,13-15H,12H2,1-3H3,(H,26,27)(H,23,24,25)
InChIKeySUTSBYFLFNDQGV-UHFFFAOYSA-N
XLogP4.14
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2-methoxyphenyl)methylamino]-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109257924
N-(4-propan-2-yloxyphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109258756
2-[(2-methoxyphenyl)methylamino]-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 109248461
N-(3-chlorophenyl)-2-[(2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide
CID 109257933
N-(3-chloro-4-fluorophenyl)-2-[(2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide
CID 109257939
2-(benzylamino)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide
CID 109255470
N-[(2-methoxyphenyl)methyl]-5-(4-propan-2-yloxyanilino)pyridine-2-carboxamide
CID 109190227
2-(tert-butylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-5-carboxamide
CID 109263016
N-(3-methoxyphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide
CID 109260302
N-(4-ethoxyphenyl)-2-[(2-methoxyphenyl)methylamino]-4-methylpyrimidine-5-carboxamide
CID 20959868
methyl 4-[[2-[(2-methylphenyl)methylamino]pyrimidine-5-carbonyl]amino]benzoate
CID 109255774
N-(2-methoxyphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide
CID 109260301

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenyl)methylamino]-N-(4-propan-2-yloxyphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-[(2-methoxyphenyl)methylamino]-N-(4-propan-2-yloxyphenyl)pyrimidine-5-carboxamide (CID 109257950) is 2-[(2-methoxyphenyl)methylamino]-N-(4-propan-2-yloxyphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(2-methoxyphenyl)methylamino]-N-(4-propan-2-yloxyphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-[(2-methoxyphenyl)methylamino]-N-(4-propan-2-yloxyphenyl)pyrimidine-5-carboxamide is COc1ccccc1CNc1ncc(C(=O)Nc2ccc(OC(C)C)cc2)cn1.
What is the InChIKey of 2-[(2-methoxyphenyl)methylamino]-N-(4-propan-2-yloxyphenyl)pyrimidine-5-carboxamide?
The InChIKey is SUTSBYFLFNDQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-15(2)29-19-10-8-18(9-11-19)26-21(27)17-13-24-22(25-14-17)23-12-16-6-4-5-7-20(16)28-3/h4-11,13-15H,12H2,1-3H3,(H,26,27)(H,23,24,25).
What are the key properties of 2-[(2-methoxyphenyl)methylamino]-N-(4-propan-2-yloxyphenyl)pyrimidine-5-carboxamide?
2-[(2-methoxyphenyl)methylamino]-N-(4-propan-2-yloxyphenyl)pyrimidine-5-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 4.14, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyphenyl)methylamino]-N-(4-propan-2-yloxyphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109257950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).