N-(4-methoxypyrimidin-2-yl)-3-methylbutanamide

C10H15N3O2 — CID 130219531

IUPACN-(4-methoxypyrimidin-2-yl)-3-methylbutanamide
SMILESCOc1ccnc(NC(=O)CC(C)C)n1
InChIInChI=1S/C10H15N3O2/c1-7(2)6-8(14)12-10-11-5-4-9(13-10)15-3/h4-5,7H,6H2,1-3H3,(H,11,12,13,14)
InChIKeySDNGROMAZYKGBW-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.47
Rot. Bonds4

About N-(4-methoxypyrimidin-2-yl)-3-methylbutanamide

N-(4-methoxypyrimidin-2-yl)-3-methylbutanamide (PubChem CID 130219531) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is N-(4-methoxypyrimidin-2-yl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(4-methoxypyrimidin-2-yl)-3-methylbutanamide
PubChem CID130219531
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC NameN-(4-methoxypyrimidin-2-yl)-3-methylbutanamide
SMILESCOc1ccnc(NC(=O)CC(C)C)n1
InChIInChI=1S/C10H15N3O2/c1-7(2)6-8(14)12-10-11-5-4-9(13-10)15-3/h4-5,7H,6H2,1-3H3,(H,11,12,13,14)
InChIKeySDNGROMAZYKGBW-UHFFFAOYSA-N
XLogP1.47
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methoxypyrimidin-2-yl)amino]butan-1-ol
CID 112683347
ethyl 2-[(4-methoxypyrimidin-2-yl)amino]acetate
CID 55207180
3-amino-4-[(4-methoxypyrimidin-2-yl)amino]butan-2-ol
CID 64541292
4-methoxy-N-(4-methoxybutan-2-yl)pyrimidin-2-amine
CID 112688333
N-(4-methoxypyrimidin-2-yl)-N'-propan-2-ylethane-1,2-diamine
CID 62664484
2-N,2-N-diethyl-1-N-(4-methoxypyrimidin-2-yl)-4-methylpentane-1,2-diamine
CID 56684317
N-ethyl-4-methoxypyrimidin-2-amine
CID 20510275
1-N-(4-methoxypyrimidin-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 112684646
N-(4-methoxypyrimidin-2-yl)-2-methylbutane-1,4-diamine
CID 66089762
2-[(4-methoxypyrimidin-2-yl)amino]-2-phenylethanol
CID 112689970
N-[3-[[(4-methoxypyrimidin-2-yl)amino]methyl]phenyl]-2-methylpropanamide
CID 31663783
N-(4,6-dimethylpyrimidin-2-yl)-3-methylbutanamide
CID 924685

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxypyrimidin-2-yl)-3-methylbutanamide?
The IUPAC name of N-(4-methoxypyrimidin-2-yl)-3-methylbutanamide (CID 130219531) is N-(4-methoxypyrimidin-2-yl)-3-methylbutanamide.
What is the SMILES notation for N-(4-methoxypyrimidin-2-yl)-3-methylbutanamide?
The canonical SMILES for N-(4-methoxypyrimidin-2-yl)-3-methylbutanamide is COc1ccnc(NC(=O)CC(C)C)n1.
What is the InChIKey of N-(4-methoxypyrimidin-2-yl)-3-methylbutanamide?
The InChIKey is SDNGROMAZYKGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-7(2)6-8(14)12-10-11-5-4-9(13-10)15-3/h4-5,7H,6H2,1-3H3,(H,11,12,13,14).
What are the key properties of N-(4-methoxypyrimidin-2-yl)-3-methylbutanamide?
N-(4-methoxypyrimidin-2-yl)-3-methylbutanamide has a molecular weight of 209.25 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxypyrimidin-2-yl)-3-methylbutanamide is sourced from PubChem (CID 130219531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).