4-amino-2-(azepan-1-yl)-1H-pyrimidin-6-one

C10H16N4O — CID 135973598

IUPAC4-amino-2-(azepan-1-yl)-1H-pyrimidin-6-one
SMILESNc1cc(=O)[nH]c(N2CCCCCC2)n1
InChIInChI=1S/C10H16N4O/c11-8-7-9(15)13-10(12-8)14-5-3-1-2-4-6-14/h7H,1-6H2,(H3,11,12,13,15)
InChIKeyDQYZTSMSPIPIOZ-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.73
Rot. Bonds1

About 4-amino-2-(azepan-1-yl)-1H-pyrimidin-6-one

4-amino-2-(azepan-1-yl)-1H-pyrimidin-6-one (PubChem CID 135973598) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-amino-2-(azepan-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-(azepan-1-yl)-1H-pyrimidin-6-one
PubChem CID135973598
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name4-amino-2-(azepan-1-yl)-1H-pyrimidin-6-one
SMILESNc1cc(=O)[nH]c(N2CCCCCC2)n1
InChIInChI=1S/C10H16N4O/c11-8-7-9(15)13-10(12-8)14-5-3-1-2-4-6-14/h7H,1-6H2,(H3,11,12,13,15)
InChIKeyDQYZTSMSPIPIOZ-UHFFFAOYSA-N
XLogP0.73
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(azepan-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-2-(azepan-1-yl)-1H-pyrimidin-6-one (CID 135973598) is 4-amino-2-(azepan-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-(azepan-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-2-(azepan-1-yl)-1H-pyrimidin-6-one is Nc1cc(=O)[nH]c(N2CCCCCC2)n1.
What is the InChIKey of 4-amino-2-(azepan-1-yl)-1H-pyrimidin-6-one?
The InChIKey is DQYZTSMSPIPIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c11-8-7-9(15)13-10(12-8)14-5-3-1-2-4-6-14/h7H,1-6H2,(H3,11,12,13,15).
What are the key properties of 4-amino-2-(azepan-1-yl)-1H-pyrimidin-6-one?
4-amino-2-(azepan-1-yl)-1H-pyrimidin-6-one has a molecular weight of 208.26 g/mol, XLogP of 0.73, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(azepan-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135973598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).