2-(dimethylamino)-N-[3-(2-methoxyphenyl)propyl]pyrimidine-5-carboxamide

C17H22N4O2 — CID 46963233

IUPAC2-(dimethylamino)-N-[3-(2-methoxyphenyl)propyl]pyrimidine-5-carboxamide
SMILESCOc1ccccc1CCCNC(=O)c1cnc(N(C)C)nc1
InChIInChI=1S/C17H22N4O2/c1-21(2)17-19-11-14(12-20-17)16(22)18-10-6-8-13-7-4-5-9-15(13)23-3/h4-5,7,9,11-12H,6,8,10H2,1-3H3,(H,18,22)
InChIKeyUQRIBIXLPNKCPI-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.91
Rot. Bonds7

About 2-(dimethylamino)-N-[3-(2-methoxyphenyl)propyl]pyrimidine-5-carboxamide

2-(dimethylamino)-N-[3-(2-methoxyphenyl)propyl]pyrimidine-5-carboxamide (PubChem CID 46963233) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[3-(2-methoxyphenyl)propyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[3-(2-methoxyphenyl)propyl]pyrimidine-5-carboxamide
PubChem CID46963233
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name2-(dimethylamino)-N-[3-(2-methoxyphenyl)propyl]pyrimidine-5-carboxamide
SMILESCOc1ccccc1CCCNC(=O)c1cnc(N(C)C)nc1
InChIInChI=1S/C17H22N4O2/c1-21(2)17-19-11-14(12-20-17)16(22)18-10-6-8-13-7-4-5-9-15(13)23-3/h4-5,7,9,11-12H,6,8,10H2,1-3H3,(H,18,22)
InChIKeyUQRIBIXLPNKCPI-UHFFFAOYSA-N
XLogP1.91
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(diethylamino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
CID 109260197
3,4-dimethoxy-N-[3-(2-methoxyphenyl)propyl]benzamide
CID 99995361
N-[2-(dimethylamino)ethyl]-2-[(2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide
CID 109252692
N-[2-(2-methoxyphenyl)ethyl]-6-(methylamino)pyridine-3-carboxamide
CID 107261353
2-[(2-fluorophenyl)methylamino]-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
CID 109257016
N-[2-(2-methoxyphenyl)ethyl]-2-(prop-2-enylamino)pyrimidine-5-carboxamide
CID 109247890
N-[3-(dimethylamino)propyl]-5-[2-(2-methoxyphenyl)ethylamino]pyrazine-2-carboxamide
CID 109277760
N-[3-(2-methoxyphenyl)propyl]-4-(2-phenylsulfanylethoxy)benzamide
CID 46762989
N-[3-(2-methoxyphenyl)propyl]-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide
CID 16677175
N-[3-(2-methoxyphenyl)propyl]-2-methyl-3H-benzimidazole-5-carboxamide
CID 46963232
2-(2-methoxy-5-methylanilino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
CID 109260242
5-[2-(2-methoxyphenyl)ethylamino]-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 109236652

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[3-(2-methoxyphenyl)propyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(dimethylamino)-N-[3-(2-methoxyphenyl)propyl]pyrimidine-5-carboxamide (CID 46963233) is 2-(dimethylamino)-N-[3-(2-methoxyphenyl)propyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(dimethylamino)-N-[3-(2-methoxyphenyl)propyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(dimethylamino)-N-[3-(2-methoxyphenyl)propyl]pyrimidine-5-carboxamide is COc1ccccc1CCCNC(=O)c1cnc(N(C)C)nc1.
What is the InChIKey of 2-(dimethylamino)-N-[3-(2-methoxyphenyl)propyl]pyrimidine-5-carboxamide?
The InChIKey is UQRIBIXLPNKCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-21(2)17-19-11-14(12-20-17)16(22)18-10-6-8-13-7-4-5-9-15(13)23-3/h4-5,7,9,11-12H,6,8,10H2,1-3H3,(H,18,22).
What are the key properties of 2-(dimethylamino)-N-[3-(2-methoxyphenyl)propyl]pyrimidine-5-carboxamide?
2-(dimethylamino)-N-[3-(2-methoxyphenyl)propyl]pyrimidine-5-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[3-(2-methoxyphenyl)propyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 46963233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).