2-amino-4-(3-hydroxypropylamino)-1H-pyrimidin-6-one

C7H12N4O2 — CID 135489793

IUPAC2-amino-4-(3-hydroxypropylamino)-1H-pyrimidin-6-one
SMILESNc1nc(NCCCO)cc(=O)[nH]1
InChIInChI=1S/C7H12N4O2/c8-7-10-5(4-6(13)11-7)9-2-1-3-12/h4,12H,1-3H2,(H4,8,9,10,11,13)
InChIKeyMBASEOUSQCGMNP-UHFFFAOYSA-N
MW184.20 g/mol
LogP-0.85
Rot. Bonds4

About 2-amino-4-(3-hydroxypropylamino)-1H-pyrimidin-6-one

2-amino-4-(3-hydroxypropylamino)-1H-pyrimidin-6-one (PubChem CID 135489793) has the molecular formula C7H12N4O2 and a molecular weight of 184.20 g/mol. Its IUPAC name is 2-amino-4-(3-hydroxypropylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-(3-hydroxypropylamino)-1H-pyrimidin-6-one
PubChem CID135489793
Molecular FormulaC7H12N4O2
Molecular Weight184.20 g/mol
Exact Mass184.10
IUPAC Name2-amino-4-(3-hydroxypropylamino)-1H-pyrimidin-6-one
SMILESNc1nc(NCCCO)cc(=O)[nH]1
InChIInChI=1S/C7H12N4O2/c8-7-10-5(4-6(13)11-7)9-2-1-3-12/h4,12H,1-3H2,(H4,8,9,10,11,13)
InChIKeyMBASEOUSQCGMNP-UHFFFAOYSA-N
XLogP-0.85
TPSA104.03 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 5-0.85
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

2-Amino-6-(4-hydroxybutylamino)pyrimidin-4-ol
CID 135474610
2-[(3-Hydroxypropyl)amino]-6-methylpyrimidin-4-ol
CID 135452324
2-Amino-6-((3-hydroxy-2,2-dimethylpropyl)amino)-4-pyrimidinol
CID 135406826
6-Amino-2-((2-hydroxyethyl)(methyl)amino)-4-pyrimidinol
CID 135408994
2-Amino-6-(((1-(hydroxymethyl)cyclopropyl)methyl)amino)-4-pyrimidinol
CID 135489794
6-((2-Hydroxyethyl)amino)pyrimidin-4(1H)-one
CID 136271513
4-[(2,2-difluoro-3-hydroxypropyl)amino]-1H-pyrimidin-6-one
CID 136849687
5-amino-2-(3-hydroxypropylamino)-1H-pyrimidin-6-one
CID 20498692
2-(1-aminopropylamino)-4-hydroxy-1H-pyrimidin-6-one
CID 70536318
2-Amino-1-(3-hydroxypropyl)pyrimidin-4-one
CID 163296269
2-(3-hydroxypropylamino)-1H-pyrimidin-6-one
CID 2069398
2-[[(Z)-2-hydroxyethenyl]amino]-1H-pyrimidin-6-one
CID 45083023

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-hydroxypropylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-(3-hydroxypropylamino)-1H-pyrimidin-6-one (CID 135489793) is 2-amino-4-(3-hydroxypropylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-(3-hydroxypropylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-(3-hydroxypropylamino)-1H-pyrimidin-6-one is Nc1nc(NCCCO)cc(=O)[nH]1.
What is the InChIKey of 2-amino-4-(3-hydroxypropylamino)-1H-pyrimidin-6-one?
The InChIKey is MBASEOUSQCGMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2/c8-7-10-5(4-6(13)11-7)9-2-1-3-12/h4,12H,1-3H2,(H4,8,9,10,11,13).
What are the key properties of 2-amino-4-(3-hydroxypropylamino)-1H-pyrimidin-6-one?
2-amino-4-(3-hydroxypropylamino)-1H-pyrimidin-6-one has a molecular weight of 184.20 g/mol, XLogP of -0.85, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-hydroxypropylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 135489793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).