2-amino-5-(3-methylhexan-3-yl)-1H-pyrimidin-6-one

C11H19N3O — CID 174183345

IUPAC2-amino-5-(3-methylhexan-3-yl)-1H-pyrimidin-6-one
SMILESCCCC(C)(CC)c1cnc(N)[nH]c1=O
InChIInChI=1S/C11H19N3O/c1-4-6-11(3,5-2)8-7-13-10(12)14-9(8)15/h7H,4-6H2,1-3H3,(H3,12,13,14,15)
InChIKeyMHTKWZMNUXMLLO-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.82
Rot. Bonds4

About 2-amino-5-(3-methylhexan-3-yl)-1H-pyrimidin-6-one

2-amino-5-(3-methylhexan-3-yl)-1H-pyrimidin-6-one (PubChem CID 174183345) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-amino-5-(3-methylhexan-3-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-5-(3-methylhexan-3-yl)-1H-pyrimidin-6-one
PubChem CID174183345
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-amino-5-(3-methylhexan-3-yl)-1H-pyrimidin-6-one
SMILESCCCC(C)(CC)c1cnc(N)[nH]c1=O
InChIInChI=1S/C11H19N3O/c1-4-6-11(3,5-2)8-7-13-10(12)14-9(8)15/h7H,4-6H2,1-3H3,(H3,12,13,14,15)
InChIKeyMHTKWZMNUXMLLO-UHFFFAOYSA-N
XLogP1.82
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(3-methylhexan-3-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-5-(3-methylhexan-3-yl)-1H-pyrimidin-6-one (CID 174183345) is 2-amino-5-(3-methylhexan-3-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-5-(3-methylhexan-3-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-5-(3-methylhexan-3-yl)-1H-pyrimidin-6-one is CCCC(C)(CC)c1cnc(N)[nH]c1=O.
What is the InChIKey of 2-amino-5-(3-methylhexan-3-yl)-1H-pyrimidin-6-one?
The InChIKey is MHTKWZMNUXMLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-4-6-11(3,5-2)8-7-13-10(12)14-9(8)15/h7H,4-6H2,1-3H3,(H3,12,13,14,15).
What are the key properties of 2-amino-5-(3-methylhexan-3-yl)-1H-pyrimidin-6-one?
2-amino-5-(3-methylhexan-3-yl)-1H-pyrimidin-6-one has a molecular weight of 209.29 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(3-methylhexan-3-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 174183345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).