4-(4-aminopentylamino)-1H-pyrimidin-6-one

C9H16N4O — CID 136902391

IUPAC4-(4-aminopentylamino)-1H-pyrimidin-6-one
SMILESCC(N)CCCNc1cc(=O)[nH]cn1
InChIInChI=1S/C9H16N4O/c1-7(10)3-2-4-11-8-5-9(14)13-6-12-8/h5-7H,2-4,10H2,1H3,(H2,11,12,13,14)
InChIKeyPSWXCXSFPNEUBR-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.31
Rot. Bonds5

About 4-(4-aminopentylamino)-1H-pyrimidin-6-one

4-(4-aminopentylamino)-1H-pyrimidin-6-one (PubChem CID 136902391) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-(4-aminopentylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(4-aminopentylamino)-1H-pyrimidin-6-one
PubChem CID136902391
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name4-(4-aminopentylamino)-1H-pyrimidin-6-one
SMILESCC(N)CCCNc1cc(=O)[nH]cn1
InChIInChI=1S/C9H16N4O/c1-7(10)3-2-4-11-8-5-9(14)13-6-12-8/h5-7H,2-4,10H2,1H3,(H2,11,12,13,14)
InChIKeyPSWXCXSFPNEUBR-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

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-(cyclopentylamino)-1H-pyrimidin-4-one
CID 135408692
6-(3-Aminopiperidin-1-yl)-3,4-dihydropyrimidin-4-one dihydrochloride
CID 139026488
4-(2-methylpropylamino)-1H-pyrimidin-6-one
CID 136738480
2-Amino-6-(cyclohexylamino)pyrimidin-4(1h)-one
CID 135402393
2-Amino-6-(butylamino)pyrimidin-4(3H)-one
CID 135408602
6-(Cyclohexylamino)pyrimidin-4(1H)-one
CID 136271514
4-(4,4,4-trifluorobutan-2-ylamino)-1H-pyrimidin-6-one
CID 136786693
4-(5,5,5-trifluoropentylamino)-1H-pyrimidin-6-one
CID 136957057
4-(3,3-difluorobutan-2-ylamino)-1H-pyrimidin-6-one
CID 137269684
1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-pentylurea
CID 135698172
2-amino-6-(isopropylamino)pyrimidin-4(3H)-one
CID 135778378
4-(cyclopropylamino)-1H-pyrimidin-6-one
CID 136006849

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminopentylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-(4-aminopentylamino)-1H-pyrimidin-6-one (CID 136902391) is 4-(4-aminopentylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(4-aminopentylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(4-aminopentylamino)-1H-pyrimidin-6-one is CC(N)CCCNc1cc(=O)[nH]cn1.
What is the InChIKey of 4-(4-aminopentylamino)-1H-pyrimidin-6-one?
The InChIKey is PSWXCXSFPNEUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-7(10)3-2-4-11-8-5-9(14)13-6-12-8/h5-7H,2-4,10H2,1H3,(H2,11,12,13,14).
What are the key properties of 4-(4-aminopentylamino)-1H-pyrimidin-6-one?
4-(4-aminopentylamino)-1H-pyrimidin-6-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 4-(4-aminopentylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136902391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).