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

C7H12N4O — CID 19795854

IUPAC6-(3-aminopropylamino)-1H-pyrimidin-2-one
SMILESNCCCNc1ccnc(=O)[nH]1
InChIInChI=1S/C7H12N4O/c8-3-1-4-9-6-2-5-10-7(12)11-6/h2,5H,1,3-4,8H2,(H2,9,10,11,12)
InChIKeyRAFXEMBOGPMCAF-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.47
Rot. Bonds4

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

6-(3-aminopropylamino)-1H-pyrimidin-2-one (PubChem CID 19795854) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 6-(3-aminopropylamino)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(3-aminopropylamino)-1H-pyrimidin-2-one
PubChem CID19795854
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name6-(3-aminopropylamino)-1H-pyrimidin-2-one
SMILESNCCCNc1ccnc(=O)[nH]1
InChIInChI=1S/C7H12N4O/c8-3-1-4-9-6-2-5-10-7(12)11-6/h2,5H,1,3-4,8H2,(H2,9,10,11,12)
InChIKeyRAFXEMBOGPMCAF-UHFFFAOYSA-N
XLogP-0.47
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(3-aminopropylamino)-1H-pyrimidin-2-one?
The IUPAC name of 6-(3-aminopropylamino)-1H-pyrimidin-2-one (CID 19795854) is 6-(3-aminopropylamino)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(3-aminopropylamino)-1H-pyrimidin-2-one?
The canonical SMILES for 6-(3-aminopropylamino)-1H-pyrimidin-2-one is NCCCNc1ccnc(=O)[nH]1.
What is the InChIKey of 6-(3-aminopropylamino)-1H-pyrimidin-2-one?
The InChIKey is RAFXEMBOGPMCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c8-3-1-4-9-6-2-5-10-7(12)11-6/h2,5H,1,3-4,8H2,(H2,9,10,11,12).
What are the key properties of 6-(3-aminopropylamino)-1H-pyrimidin-2-one?
6-(3-aminopropylamino)-1H-pyrimidin-2-one has a molecular weight of 168.20 g/mol, XLogP of -0.47, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminopropylamino)-1H-pyrimidin-2-one is sourced from PubChem (CID 19795854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).