2-[(2-methoxyphenyl)methylamino]-N-(2-methylpropyl)pyrimidine-5-carboxamide

C17H22N4O2 — CID 109248461

IUPAC2-[(2-methoxyphenyl)methylamino]-N-(2-methylpropyl)pyrimidine-5-carboxamide
SMILESCOc1ccccc1CNc1ncc(C(=O)NCC(C)C)cn1
InChIInChI=1S/C17H22N4O2/c1-12(2)8-18-16(22)14-10-20-17(21-11-14)19-9-13-6-4-5-7-15(13)23-3/h4-7,10-12H,8-9H2,1-3H3,(H,18,22)(H,19,20,21)
InChIKeyDPYQALHWHHLVIR-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.48
Rot. Bonds7

About 2-[(2-methoxyphenyl)methylamino]-N-(2-methylpropyl)pyrimidine-5-carboxamide

2-[(2-methoxyphenyl)methylamino]-N-(2-methylpropyl)pyrimidine-5-carboxamide (PubChem CID 109248461) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-[(2-methoxyphenyl)methylamino]-N-(2-methylpropyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(2-methoxyphenyl)methylamino]-N-(2-methylpropyl)pyrimidine-5-carboxamide
PubChem CID109248461
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name2-[(2-methoxyphenyl)methylamino]-N-(2-methylpropyl)pyrimidine-5-carboxamide
SMILESCOc1ccccc1CNc1ncc(C(=O)NCC(C)C)cn1
InChIInChI=1S/C17H22N4O2/c1-12(2)8-18-16(22)14-10-20-17(21-11-14)19-9-13-6-4-5-7-15(13)23-3/h4-7,10-12H,8-9H2,1-3H3,(H,18,22)(H,19,20,21)
InChIKeyDPYQALHWHHLVIR-UHFFFAOYSA-N
XLogP2.48
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-[(2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide
CID 109252692
5-[(2-methoxyphenyl)methylamino]-N-(2-methylpropyl)pyrazine-2-carboxamide
CID 109272757
N-(furan-2-ylmethyl)-2-[(2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide
CID 109254883
2-[(2-methoxyphenyl)methylamino]-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109257924
2-[(2-methoxyphenyl)methylamino]-N-(4-propan-2-yloxyphenyl)pyrimidine-5-carboxamide
CID 109257950
2-[(2-fluorophenyl)methylamino]-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
CID 109257016
N-[(2-methoxyphenyl)methyl]-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109257822
N-[(2-methoxyphenyl)methyl]-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109257821
2-(4-fluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 109257829
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methylpropylamino)pyrimidine-5-carboxamide
CID 109248678
N-(3-chlorophenyl)-2-[(2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide
CID 109257933
N-butyl-2-[(2-methoxyphenyl)methylamino]-N-methylpyrimidine-5-carboxamide
CID 109257900

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenyl)methylamino]-N-(2-methylpropyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-[(2-methoxyphenyl)methylamino]-N-(2-methylpropyl)pyrimidine-5-carboxamide (CID 109248461) is 2-[(2-methoxyphenyl)methylamino]-N-(2-methylpropyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(2-methoxyphenyl)methylamino]-N-(2-methylpropyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-[(2-methoxyphenyl)methylamino]-N-(2-methylpropyl)pyrimidine-5-carboxamide is COc1ccccc1CNc1ncc(C(=O)NCC(C)C)cn1.
What is the InChIKey of 2-[(2-methoxyphenyl)methylamino]-N-(2-methylpropyl)pyrimidine-5-carboxamide?
The InChIKey is DPYQALHWHHLVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-12(2)8-18-16(22)14-10-20-17(21-11-14)19-9-13-6-4-5-7-15(13)23-3/h4-7,10-12H,8-9H2,1-3H3,(H,18,22)(H,19,20,21).
What are the key properties of 2-[(2-methoxyphenyl)methylamino]-N-(2-methylpropyl)pyrimidine-5-carboxamide?
2-[(2-methoxyphenyl)methylamino]-N-(2-methylpropyl)pyrimidine-5-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyphenyl)methylamino]-N-(2-methylpropyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109248461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).