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

C8H14N4O — CID 117211415

IUPAC5-(3-aminopropylamino)-6-methyl-1H-pyrimidin-2-one
SMILESCc1[nH]c(=O)ncc1NCCCN
InChIInChI=1S/C8H14N4O/c1-6-7(10-4-2-3-9)5-11-8(13)12-6/h5,10H,2-4,9H2,1H3,(H,11,12,13)
InChIKeySMCMPOHHGQACCK-UHFFFAOYSA-N
MW182.23 g/mol
LogP-0.16
Rot. Bonds4

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

5-(3-aminopropylamino)-6-methyl-1H-pyrimidin-2-one (PubChem CID 117211415) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 5-(3-aminopropylamino)-6-methyl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-(3-aminopropylamino)-6-methyl-1H-pyrimidin-2-one
PubChem CID117211415
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name5-(3-aminopropylamino)-6-methyl-1H-pyrimidin-2-one
SMILESCc1[nH]c(=O)ncc1NCCCN
InChIInChI=1S/C8H14N4O/c1-6-7(10-4-2-3-9)5-11-8(13)12-6/h5,10H,2-4,9H2,1H3,(H,11,12,13)
InChIKeySMCMPOHHGQACCK-UHFFFAOYSA-N
XLogP-0.16
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-0.16
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-methyl-1H-pyrimidin-2-one?
The IUPAC name of 5-(3-aminopropylamino)-6-methyl-1H-pyrimidin-2-one (CID 117211415) is 5-(3-aminopropylamino)-6-methyl-1H-pyrimidin-2-one.
What is the SMILES notation for 5-(3-aminopropylamino)-6-methyl-1H-pyrimidin-2-one?
The canonical SMILES for 5-(3-aminopropylamino)-6-methyl-1H-pyrimidin-2-one is Cc1[nH]c(=O)ncc1NCCCN.
What is the InChIKey of 5-(3-aminopropylamino)-6-methyl-1H-pyrimidin-2-one?
The InChIKey is SMCMPOHHGQACCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-6-7(10-4-2-3-9)5-11-8(13)12-6/h5,10H,2-4,9H2,1H3,(H,11,12,13).
What are the key properties of 5-(3-aminopropylamino)-6-methyl-1H-pyrimidin-2-one?
5-(3-aminopropylamino)-6-methyl-1H-pyrimidin-2-one has a molecular weight of 182.23 g/mol, XLogP of -0.16, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopropylamino)-6-methyl-1H-pyrimidin-2-one is sourced from PubChem (CID 117211415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).