N-(6-methoxypyrimidin-4-yl)-3-methylbutanamide

C10H15N3O2 — CID 130219538

IUPACN-(6-methoxypyrimidin-4-yl)-3-methylbutanamide
SMILESCOc1cc(NC(=O)CC(C)C)ncn1
InChIInChI=1S/C10H15N3O2/c1-7(2)4-9(14)13-8-5-10(15-3)12-6-11-8/h5-7H,4H2,1-3H3,(H,11,12,13,14)
InChIKeyLWZFHEQVBIDHEA-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.47
Rot. Bonds4

About N-(6-methoxypyrimidin-4-yl)-3-methylbutanamide

N-(6-methoxypyrimidin-4-yl)-3-methylbutanamide (PubChem CID 130219538) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is N-(6-methoxypyrimidin-4-yl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(6-methoxypyrimidin-4-yl)-3-methylbutanamide
PubChem CID130219538
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC NameN-(6-methoxypyrimidin-4-yl)-3-methylbutanamide
SMILESCOc1cc(NC(=O)CC(C)C)ncn1
InChIInChI=1S/C10H15N3O2/c1-7(2)4-9(14)13-8-5-10(15-3)12-6-11-8/h5-7H,4H2,1-3H3,(H,11,12,13,14)
InChIKeyLWZFHEQVBIDHEA-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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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxypyrimidin-4-yl)-3-methylbutanamide?
The IUPAC name of N-(6-methoxypyrimidin-4-yl)-3-methylbutanamide (CID 130219538) is N-(6-methoxypyrimidin-4-yl)-3-methylbutanamide.
What is the SMILES notation for N-(6-methoxypyrimidin-4-yl)-3-methylbutanamide?
The canonical SMILES for N-(6-methoxypyrimidin-4-yl)-3-methylbutanamide is COc1cc(NC(=O)CC(C)C)ncn1.
What is the InChIKey of N-(6-methoxypyrimidin-4-yl)-3-methylbutanamide?
The InChIKey is LWZFHEQVBIDHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-7(2)4-9(14)13-8-5-10(15-3)12-6-11-8/h5-7H,4H2,1-3H3,(H,11,12,13,14).
What are the key properties of N-(6-methoxypyrimidin-4-yl)-3-methylbutanamide?
N-(6-methoxypyrimidin-4-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-(6-methoxypyrimidin-4-yl)-3-methylbutanamide is sourced from PubChem (CID 130219538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).