5-(3-aminopropylamino)-6-propan-2-yl-1H-pyrimidin-2-one

C10H18N4O — CID 117211383

IUPAC5-(3-aminopropylamino)-6-propan-2-yl-1H-pyrimidin-2-one
SMILESCC(C)c1[nH]c(=O)ncc1NCCCN
InChIInChI=1S/C10H18N4O/c1-7(2)9-8(12-5-3-4-11)6-13-10(15)14-9/h6-7,12H,3-5,11H2,1-2H3,(H,13,14,15)
InChIKeyHOASNYIWSFJLRM-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.65
Rot. Bonds5

About 5-(3-aminopropylamino)-6-propan-2-yl-1H-pyrimidin-2-one

5-(3-aminopropylamino)-6-propan-2-yl-1H-pyrimidin-2-one (PubChem CID 117211383) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 5-(3-aminopropylamino)-6-propan-2-yl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-(3-aminopropylamino)-6-propan-2-yl-1H-pyrimidin-2-one
PubChem CID117211383
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name5-(3-aminopropylamino)-6-propan-2-yl-1H-pyrimidin-2-one
SMILESCC(C)c1[nH]c(=O)ncc1NCCCN
InChIInChI=1S/C10H18N4O/c1-7(2)9-8(12-5-3-4-11)6-13-10(15)14-9/h6-7,12H,3-5,11H2,1-2H3,(H,13,14,15)
InChIKeyHOASNYIWSFJLRM-UHFFFAOYSA-N
XLogP0.65
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.65
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 5-(3-aminopropylamino)-6-propan-2-yl-1H-pyrimidin-2-one?
The IUPAC name of 5-(3-aminopropylamino)-6-propan-2-yl-1H-pyrimidin-2-one (CID 117211383) is 5-(3-aminopropylamino)-6-propan-2-yl-1H-pyrimidin-2-one.
What is the SMILES notation for 5-(3-aminopropylamino)-6-propan-2-yl-1H-pyrimidin-2-one?
The canonical SMILES for 5-(3-aminopropylamino)-6-propan-2-yl-1H-pyrimidin-2-one is CC(C)c1[nH]c(=O)ncc1NCCCN.
What is the InChIKey of 5-(3-aminopropylamino)-6-propan-2-yl-1H-pyrimidin-2-one?
The InChIKey is HOASNYIWSFJLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-7(2)9-8(12-5-3-4-11)6-13-10(15)14-9/h6-7,12H,3-5,11H2,1-2H3,(H,13,14,15).
What are the key properties of 5-(3-aminopropylamino)-6-propan-2-yl-1H-pyrimidin-2-one?
5-(3-aminopropylamino)-6-propan-2-yl-1H-pyrimidin-2-one has a molecular weight of 210.28 g/mol, XLogP of 0.65, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopropylamino)-6-propan-2-yl-1H-pyrimidin-2-one is sourced from PubChem (CID 117211383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).