4-amino-5-propyl-1H-pyrimidin-6-one

C7H11N3O — CID 135854964

IUPAC4-amino-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(N)nc[nH]c1=O
InChIInChI=1S/C7H11N3O/c1-2-3-5-6(8)9-4-10-7(5)11/h4H,2-3H2,1H3,(H3,8,9,10,11)
InChIKeyQIZNVEHPEPIHKF-UHFFFAOYSA-N
MW153.19 g/mol
LogP0.30
Rot. Bonds2

About 4-amino-5-propyl-1H-pyrimidin-6-one

4-amino-5-propyl-1H-pyrimidin-6-one (PubChem CID 135854964) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is 4-amino-5-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-5-propyl-1H-pyrimidin-6-one
PubChem CID135854964
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC Name4-amino-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(N)nc[nH]c1=O
InChIInChI=1S/C7H11N3O/c1-2-3-5-6(8)9-4-10-7(5)11/h4H,2-3H2,1H3,(H3,8,9,10,11)
InChIKeyQIZNVEHPEPIHKF-UHFFFAOYSA-N
XLogP0.30
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-propyl-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-5-propyl-1H-pyrimidin-6-one (CID 135854964) is 4-amino-5-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-5-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-5-propyl-1H-pyrimidin-6-one is CCCc1c(N)nc[nH]c1=O.
What is the InChIKey of 4-amino-5-propyl-1H-pyrimidin-6-one?
The InChIKey is QIZNVEHPEPIHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-2-3-5-6(8)9-4-10-7(5)11/h4H,2-3H2,1H3,(H3,8,9,10,11).
What are the key properties of 4-amino-5-propyl-1H-pyrimidin-6-one?
4-amino-5-propyl-1H-pyrimidin-6-one has a molecular weight of 153.19 g/mol, XLogP of 0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135854964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).