6-(1-amino-2-methylpropyl)-1H-pyrimidin-2-one

C8H13N3O — CID 83845949

IUPAC6-(1-amino-2-methylpropyl)-1H-pyrimidin-2-one
SMILESCC(C)C(N)c1ccnc(=O)[nH]1
InChIInChI=1S/C8H13N3O/c1-5(2)7(9)6-3-4-10-8(12)11-6/h3-5,7H,9H2,1-2H3,(H,10,11,12)
InChIKeyQPZXKXQHVAECDR-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.43
Rot. Bonds2

About 6-(1-amino-2-methylpropyl)-1H-pyrimidin-2-one

6-(1-amino-2-methylpropyl)-1H-pyrimidin-2-one (PubChem CID 83845949) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 6-(1-amino-2-methylpropyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(1-amino-2-methylpropyl)-1H-pyrimidin-2-one
PubChem CID83845949
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name6-(1-amino-2-methylpropyl)-1H-pyrimidin-2-one
SMILESCC(C)C(N)c1ccnc(=O)[nH]1
InChIInChI=1S/C8H13N3O/c1-5(2)7(9)6-3-4-10-8(12)11-6/h3-5,7H,9H2,1-2H3,(H,10,11,12)
InChIKeyQPZXKXQHVAECDR-UHFFFAOYSA-N
XLogP0.43
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(1-amino-2-methylpropyl)-1H-pyrimidin-2-one?
The IUPAC name of 6-(1-amino-2-methylpropyl)-1H-pyrimidin-2-one (CID 83845949) is 6-(1-amino-2-methylpropyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(1-amino-2-methylpropyl)-1H-pyrimidin-2-one?
The canonical SMILES for 6-(1-amino-2-methylpropyl)-1H-pyrimidin-2-one is CC(C)C(N)c1ccnc(=O)[nH]1.
What is the InChIKey of 6-(1-amino-2-methylpropyl)-1H-pyrimidin-2-one?
The InChIKey is QPZXKXQHVAECDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-5(2)7(9)6-3-4-10-8(12)11-6/h3-5,7H,9H2,1-2H3,(H,10,11,12).
What are the key properties of 6-(1-amino-2-methylpropyl)-1H-pyrimidin-2-one?
6-(1-amino-2-methylpropyl)-1H-pyrimidin-2-one has a molecular weight of 167.21 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-amino-2-methylpropyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 83845949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).