4-(methylamino)-N-[3-(2-methylpyrimidin-4-yl)phenyl]butanamide

C16H20N4O — CID 119707129

IUPAC4-(methylamino)-N-[3-(2-methylpyrimidin-4-yl)phenyl]butanamide
SMILESCNCCCC(=O)Nc1cccc(-c2ccnc(C)n2)c1
InChIInChI=1S/C16H20N4O/c1-12-18-10-8-15(19-12)13-5-3-6-14(11-13)20-16(21)7-4-9-17-2/h3,5-6,8,10-11,17H,4,7,9H2,1-2H3,(H,20,21)
InChIKeyDWVQNBMMKFYASO-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.39
Rot. Bonds6

About 4-(methylamino)-N-[3-(2-methylpyrimidin-4-yl)phenyl]butanamide

4-(methylamino)-N-[3-(2-methylpyrimidin-4-yl)phenyl]butanamide (PubChem CID 119707129) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-(methylamino)-N-[3-(2-methylpyrimidin-4-yl)phenyl]butanamide.

Molecular Properties

Compound Name4-(methylamino)-N-[3-(2-methylpyrimidin-4-yl)phenyl]butanamide
PubChem CID119707129
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name4-(methylamino)-N-[3-(2-methylpyrimidin-4-yl)phenyl]butanamide
SMILESCNCCCC(=O)Nc1cccc(-c2ccnc(C)n2)c1
InChIInChI=1S/C16H20N4O/c1-12-18-10-8-15(19-12)13-5-3-6-14(11-13)20-16(21)7-4-9-17-2/h3,5-6,8,10-11,17H,4,7,9H2,1-2H3,(H,20,21)
InChIKeyDWVQNBMMKFYASO-UHFFFAOYSA-N
XLogP2.39
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3-(methylamino)-N-[3-(2-methylpyrimidin-4-yl)phenyl]propanamide;hydrochloride
CID 119707145
4-tert-butyl-N-[3-[3-(2-methylpyrimidin-4-yl)anilino]-3-oxopropyl]benzamide
CID 39028780
4-amino-3-methoxy-N-[3-(2-methylpyrimidin-4-yl)phenyl]butanamide
CID 120588022
N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-4-(methylamino)butanamide
CID 119742561
4-(methylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]butanamide
CID 60842609
4-fluoro-N-[2-[3-(2-methylpyrimidin-4-yl)anilino]-2-oxoethyl]benzamide
CID 38310248
2-(2-tert-butylphenoxy)-N-[3-(2-methylpyrimidin-4-yl)phenyl]acetamide
CID 39027894
tert-butyl N-[3-(2-methylpyrimidin-4-yl)phenyl]carbamate
CID 101394554
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[3-(2-methylpyrimidin-4-yl)anilino]acetamide
CID 43074585
cis-(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]cyclopropane-1-carboxamide
CID 39026508
(2S)-2-amino-3,3-dimethyl-N-[3-(2-methylpyrimidin-4-yl)phenyl]butanamide
CID 119707140
N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-propan-2-yloxybenzamide
CID 39259940

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-[3-(2-methylpyrimidin-4-yl)phenyl]butanamide?
The IUPAC name of 4-(methylamino)-N-[3-(2-methylpyrimidin-4-yl)phenyl]butanamide (CID 119707129) is 4-(methylamino)-N-[3-(2-methylpyrimidin-4-yl)phenyl]butanamide.
What is the SMILES notation for 4-(methylamino)-N-[3-(2-methylpyrimidin-4-yl)phenyl]butanamide?
The canonical SMILES for 4-(methylamino)-N-[3-(2-methylpyrimidin-4-yl)phenyl]butanamide is CNCCCC(=O)Nc1cccc(-c2ccnc(C)n2)c1.
What is the InChIKey of 4-(methylamino)-N-[3-(2-methylpyrimidin-4-yl)phenyl]butanamide?
The InChIKey is DWVQNBMMKFYASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-12-18-10-8-15(19-12)13-5-3-6-14(11-13)20-16(21)7-4-9-17-2/h3,5-6,8,10-11,17H,4,7,9H2,1-2H3,(H,20,21).
What are the key properties of 4-(methylamino)-N-[3-(2-methylpyrimidin-4-yl)phenyl]butanamide?
4-(methylamino)-N-[3-(2-methylpyrimidin-4-yl)phenyl]butanamide has a molecular weight of 284.36 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-[3-(2-methylpyrimidin-4-yl)phenyl]butanamide is sourced from PubChem (CID 119707129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).