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

C16H20N4O2 — CID 120588022

IUPAC4-amino-3-methoxy-N-[3-(2-methylpyrimidin-4-yl)phenyl]butanamide
SMILESCOC(CN)CC(=O)Nc1cccc(-c2ccnc(C)n2)c1
InChIInChI=1S/C16H20N4O2/c1-11-18-7-6-15(19-11)12-4-3-5-13(8-12)20-16(21)9-14(10-17)22-2/h3-8,14H,9-10,17H2,1-2H3,(H,20,21)
InChIKeyDRVCIWFQUWJSSD-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.75
Rot. Bonds6

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

4-amino-3-methoxy-N-[3-(2-methylpyrimidin-4-yl)phenyl]butanamide (PubChem CID 120588022) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-[3-(2-methylpyrimidin-4-yl)phenyl]butanamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-[3-(2-methylpyrimidin-4-yl)phenyl]butanamide
PubChem CID120588022
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name4-amino-3-methoxy-N-[3-(2-methylpyrimidin-4-yl)phenyl]butanamide
SMILESCOC(CN)CC(=O)Nc1cccc(-c2ccnc(C)n2)c1
InChIInChI=1S/C16H20N4O2/c1-11-18-7-6-15(19-11)12-4-3-5-13(8-12)20-16(21)9-14(10-17)22-2/h3-8,14H,9-10,17H2,1-2H3,(H,20,21)
InChIKeyDRVCIWFQUWJSSD-UHFFFAOYSA-N
XLogP1.75
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(methylamino)-N-[3-(2-methylpyrimidin-4-yl)phenyl]butanamide
CID 119707129
4-amino-3-methoxy-N-(3-methylphenyl)butanamide
CID 103154212
4-amino-3-methoxy-N-[3-(propanoylamino)phenyl]butanamide
CID 103155505
(2S)-2-amino-3,3-dimethyl-N-[3-(2-methylpyrimidin-4-yl)phenyl]butanamide
CID 119707140
2-methyl-3-(methylamino)-N-[3-(2-methylpyrimidin-4-yl)phenyl]propanamide;hydrochloride
CID 119707145
tert-butyl N-[3-(2-methylpyrimidin-4-yl)phenyl]carbamate
CID 101394554
2-(2-tert-butylphenoxy)-N-[3-(2-methylpyrimidin-4-yl)phenyl]acetamide
CID 39027894
2-(2-ethoxyethoxy)-N-[3-(2-methylpyrimidin-4-yl)phenyl]propanamide
CID 47066335
4-amino-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-3-methoxybutanamide
CID 137045988
4-amino-3-methoxy-N-(3-methoxyphenyl)butanamide;hydrochloride
CID 120586371
4-amino-N-(3-chlorophenyl)-3-methoxybutanamide;hydrochloride
CID 120586386
4-fluoro-N-[2-[3-(2-methylpyrimidin-4-yl)anilino]-2-oxoethyl]benzamide
CID 38310248

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-[3-(2-methylpyrimidin-4-yl)phenyl]butanamide?
The IUPAC name of 4-amino-3-methoxy-N-[3-(2-methylpyrimidin-4-yl)phenyl]butanamide (CID 120588022) is 4-amino-3-methoxy-N-[3-(2-methylpyrimidin-4-yl)phenyl]butanamide.
What is the SMILES notation for 4-amino-3-methoxy-N-[3-(2-methylpyrimidin-4-yl)phenyl]butanamide?
The canonical SMILES for 4-amino-3-methoxy-N-[3-(2-methylpyrimidin-4-yl)phenyl]butanamide is COC(CN)CC(=O)Nc1cccc(-c2ccnc(C)n2)c1.
What is the InChIKey of 4-amino-3-methoxy-N-[3-(2-methylpyrimidin-4-yl)phenyl]butanamide?
The InChIKey is DRVCIWFQUWJSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-11-18-7-6-15(19-11)12-4-3-5-13(8-12)20-16(21)9-14(10-17)22-2/h3-8,14H,9-10,17H2,1-2H3,(H,20,21).
What are the key properties of 4-amino-3-methoxy-N-[3-(2-methylpyrimidin-4-yl)phenyl]butanamide?
4-amino-3-methoxy-N-[3-(2-methylpyrimidin-4-yl)phenyl]butanamide has a molecular weight of 300.36 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-[3-(2-methylpyrimidin-4-yl)phenyl]butanamide is sourced from PubChem (CID 120588022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).