6-(3-aminopentylamino)-1H-pyrimidin-2-one

C9H16N4O — CID 69088967

IUPAC6-(3-aminopentylamino)-1H-pyrimidin-2-one
SMILESCCC(N)CCNc1ccnc(=O)[nH]1
InChIInChI=1S/C9H16N4O/c1-2-7(10)3-5-11-8-4-6-12-9(14)13-8/h4,6-7H,2-3,5,10H2,1H3,(H2,11,12,13,14)
InChIKeyWKBQCMSRUJTJTK-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.31
Rot. Bonds5

About 6-(3-aminopentylamino)-1H-pyrimidin-2-one

6-(3-aminopentylamino)-1H-pyrimidin-2-one (PubChem CID 69088967) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 6-(3-aminopentylamino)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(3-aminopentylamino)-1H-pyrimidin-2-one
PubChem CID69088967
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name6-(3-aminopentylamino)-1H-pyrimidin-2-one
SMILESCCC(N)CCNc1ccnc(=O)[nH]1
InChIInChI=1S/C9H16N4O/c1-2-7(10)3-5-11-8-4-6-12-9(14)13-8/h4,6-7H,2-3,5,10H2,1H3,(H2,11,12,13,14)
InChIKeyWKBQCMSRUJTJTK-UHFFFAOYSA-N
XLogP0.31
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-aminopentylamino)-1H-pyrimidin-2-one?
The IUPAC name of 6-(3-aminopentylamino)-1H-pyrimidin-2-one (CID 69088967) is 6-(3-aminopentylamino)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(3-aminopentylamino)-1H-pyrimidin-2-one?
The canonical SMILES for 6-(3-aminopentylamino)-1H-pyrimidin-2-one is CCC(N)CCNc1ccnc(=O)[nH]1.
What is the InChIKey of 6-(3-aminopentylamino)-1H-pyrimidin-2-one?
The InChIKey is WKBQCMSRUJTJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-2-7(10)3-5-11-8-4-6-12-9(14)13-8/h4,6-7H,2-3,5,10H2,1H3,(H2,11,12,13,14).
What are the key properties of 6-(3-aminopentylamino)-1H-pyrimidin-2-one?
6-(3-aminopentylamino)-1H-pyrimidin-2-one has a molecular weight of 196.25 g/mol, XLogP of 0.31, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminopentylamino)-1H-pyrimidin-2-one is sourced from PubChem (CID 69088967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).