5-amino-4-(3-aminopropylamino)-1H-pyrimidin-6-one

C7H13N5O — CID 136973357

IUPAC5-amino-4-(3-aminopropylamino)-1H-pyrimidin-6-one
SMILESNCCCNc1nc[nH]c(=O)c1N
InChIInChI=1S/C7H13N5O/c8-2-1-3-10-6-5(9)7(13)12-4-11-6/h4H,1-3,8-9H2,(H2,10,11,12,13)
InChIKeyOOPFKABTRDBDRY-UHFFFAOYSA-N
MW183.22 g/mol
LogP-0.89
Rot. Bonds4

About 5-amino-4-(3-aminopropylamino)-1H-pyrimidin-6-one

5-amino-4-(3-aminopropylamino)-1H-pyrimidin-6-one (PubChem CID 136973357) has the molecular formula C7H13N5O and a molecular weight of 183.22 g/mol. Its IUPAC name is 5-amino-4-(3-aminopropylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(3-aminopropylamino)-1H-pyrimidin-6-one
PubChem CID136973357
Molecular FormulaC7H13N5O
Molecular Weight183.22 g/mol
Exact Mass183.11
IUPAC Name5-amino-4-(3-aminopropylamino)-1H-pyrimidin-6-one
SMILESNCCCNc1nc[nH]c(=O)c1N
InChIInChI=1S/C7H13N5O/c8-2-1-3-10-6-5(9)7(13)12-4-11-6/h4H,1-3,8-9H2,(H2,10,11,12,13)
InChIKeyOOPFKABTRDBDRY-UHFFFAOYSA-N
XLogP-0.89
TPSA109.82 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.22
LogP ≤ 5-0.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-4-[3-(2-aminoethoxy)propylamino]-1H-pyrimidin-6-one
CID 136730542
5-amino-4-(2-cyclopropylethylamino)-1H-pyrimidin-6-one
CID 136976144
4-(4-aminobutylamino)-5-bromo-1H-pyrimidin-6-one
CID 136973374
5-amino-4-(2-cyclobutylethylamino)-1H-pyrimidin-6-one
CID 136977117
5-amino-4-(4-imidazol-1-ylbutylamino)-1H-pyrimidin-6-one
CID 136975184
5-amino-4-(2-methylpropylamino)-1H-pyrimidin-6-one
CID 136973510
5-amino-4-[2-(1H-1,2,4-triazol-5-yl)ethylamino]-1H-pyrimidin-6-one
CID 136975971
5-amino-4-(2,2,3,3-tetrafluoropropylamino)-1H-pyrimidin-6-one
CID 136819406
5-amino-4-(2-ethylbutylamino)-1H-pyrimidin-6-one
CID 136977396
5-amino-4-(2-pyrrolidin-2-ylethylamino)-1H-pyrimidin-6-one
CID 137012703
5-amino-4-(2-pyrrolidin-3-ylethylamino)-1H-pyrimidin-6-one
CID 136978128
5-amino-4-(3-methylbut-2-enylamino)-1H-pyrimidin-6-one
CID 136679983

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(3-aminopropylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(3-aminopropylamino)-1H-pyrimidin-6-one (CID 136973357) is 5-amino-4-(3-aminopropylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(3-aminopropylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(3-aminopropylamino)-1H-pyrimidin-6-one is NCCCNc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-(3-aminopropylamino)-1H-pyrimidin-6-one?
The InChIKey is OOPFKABTRDBDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O/c8-2-1-3-10-6-5(9)7(13)12-4-11-6/h4H,1-3,8-9H2,(H2,10,11,12,13).
What are the key properties of 5-amino-4-(3-aminopropylamino)-1H-pyrimidin-6-one?
5-amino-4-(3-aminopropylamino)-1H-pyrimidin-6-one has a molecular weight of 183.22 g/mol, XLogP of -0.89, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(3-aminopropylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136973357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).