N-butyl-6-(3-methoxypropylamino)-N-methyl-2-phenylpyrimidine-4-carboxamide

C20H28N4O2 — CID 112853309

IUPACN-butyl-6-(3-methoxypropylamino)-N-methyl-2-phenylpyrimidine-4-carboxamide
SMILESCCCCN(C)C(=O)c1cc(NCCCOC)nc(-c2ccccc2)n1
InChIInChI=1S/C20H28N4O2/c1-4-5-13-24(2)20(25)17-15-18(21-12-9-14-26-3)23-19(22-17)16-10-7-6-8-11-16/h6-8,10-11,15H,4-5,9,12-14H2,1-3H3,(H,21,22,23)
InChIKeyJQVSEAIPZUKEQS-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.46
Rot. Bonds10

About N-butyl-6-(3-methoxypropylamino)-N-methyl-2-phenylpyrimidine-4-carboxamide

N-butyl-6-(3-methoxypropylamino)-N-methyl-2-phenylpyrimidine-4-carboxamide (PubChem CID 112853309) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-butyl-6-(3-methoxypropylamino)-N-methyl-2-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-6-(3-methoxypropylamino)-N-methyl-2-phenylpyrimidine-4-carboxamide
PubChem CID112853309
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC NameN-butyl-6-(3-methoxypropylamino)-N-methyl-2-phenylpyrimidine-4-carboxamide
SMILESCCCCN(C)C(=O)c1cc(NCCCOC)nc(-c2ccccc2)n1
InChIInChI=1S/C20H28N4O2/c1-4-5-13-24(2)20(25)17-15-18(21-12-9-14-26-3)23-19(22-17)16-10-7-6-8-11-16/h6-8,10-11,15H,4-5,9,12-14H2,1-3H3,(H,21,22,23)
InChIKeyJQVSEAIPZUKEQS-UHFFFAOYSA-N
XLogP3.46
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.46
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

N-benzyl-6-(butylamino)-N-methyl-2-phenylpyrimidine-4-carboxamide
CID 112852236
N-butyl-6-(3-methoxyanilino)-N-methyl-2-phenylpyrimidine-4-carboxamide
CID 112854404
6-(3-methoxypropylamino)-2-phenyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 112853304
azepan-1-yl-[6-(3-methoxypropylamino)-2-phenylpyrimidin-4-yl]methanone
CID 112853312
6-(3-methoxypropylamino)-2-phenyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 112853302
N-butyl-N,2-dimethyl-6-(pentylamino)pyrimidine-4-carboxamide
CID 112846701
6-[3-(dimethylamino)propylamino]-2-phenyl-N-prop-2-enylpyrimidine-4-carboxamide
CID 112852103
N-tert-butyl-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853130
N-tert-butyl-6-[3-(dimethylamino)propylamino]-2-phenylpyrimidine-4-carboxamide
CID 112853731
6-N-(3-methoxypropyl)-2-phenyl-4-N-(2-phenylethyl)pyrimidine-4,6-diamine
CID 112880400
6-(2-methoxyethylamino)-N-(3-methylbutyl)-2-phenylpyrimidine-4-carboxamide
CID 112853132
6-(benzylamino)-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide
CID 112853200

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-(3-methoxypropylamino)-N-methyl-2-phenylpyrimidine-4-carboxamide?
The IUPAC name of N-butyl-6-(3-methoxypropylamino)-N-methyl-2-phenylpyrimidine-4-carboxamide (CID 112853309) is N-butyl-6-(3-methoxypropylamino)-N-methyl-2-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for N-butyl-6-(3-methoxypropylamino)-N-methyl-2-phenylpyrimidine-4-carboxamide?
The canonical SMILES for N-butyl-6-(3-methoxypropylamino)-N-methyl-2-phenylpyrimidine-4-carboxamide is CCCCN(C)C(=O)c1cc(NCCCOC)nc(-c2ccccc2)n1.
What is the InChIKey of N-butyl-6-(3-methoxypropylamino)-N-methyl-2-phenylpyrimidine-4-carboxamide?
The InChIKey is JQVSEAIPZUKEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-4-5-13-24(2)20(25)17-15-18(21-12-9-14-26-3)23-19(22-17)16-10-7-6-8-11-16/h6-8,10-11,15H,4-5,9,12-14H2,1-3H3,(H,21,22,23).
What are the key properties of N-butyl-6-(3-methoxypropylamino)-N-methyl-2-phenylpyrimidine-4-carboxamide?
N-butyl-6-(3-methoxypropylamino)-N-methyl-2-phenylpyrimidine-4-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 3.46, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-(3-methoxypropylamino)-N-methyl-2-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 112853309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).