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

C7H12N4O2 — CID 136973822

IUPAC5-amino-4-(3-hydroxypropylamino)-1H-pyrimidin-6-one
SMILESNc1c(NCCCO)nc[nH]c1=O
InChIInChI=1S/C7H12N4O2/c8-5-6(9-2-1-3-12)10-4-11-7(5)13/h4,12H,1-3,8H2,(H2,9,10,11,13)
InChIKeyYKYXNOAHCLCTOV-UHFFFAOYSA-N
MW184.20 g/mol
LogP-0.85
Rot. Bonds4

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

5-amino-4-(3-hydroxypropylamino)-1H-pyrimidin-6-one (PubChem CID 136973822) has the molecular formula C7H12N4O2 and a molecular weight of 184.20 g/mol. Its IUPAC name is 5-amino-4-(3-hydroxypropylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(3-hydroxypropylamino)-1H-pyrimidin-6-one
PubChem CID136973822
Molecular FormulaC7H12N4O2
Molecular Weight184.20 g/mol
Exact Mass184.10
IUPAC Name5-amino-4-(3-hydroxypropylamino)-1H-pyrimidin-6-one
SMILESNc1c(NCCCO)nc[nH]c1=O
InChIInChI=1S/C7H12N4O2/c8-5-6(9-2-1-3-12)10-4-11-7(5)13/h4,12H,1-3,8H2,(H2,9,10,11,13)
InChIKeyYKYXNOAHCLCTOV-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

6-Hydroxymethyl-7,8-Dihydropterin
CID 135398568
6-(Hydroxymethyl)tetrahydropterin
CID 135484783
2-amino-4-(3-hydroxypropylamino)-5-nitroso-1H-pyrimidin-6-one
CID 135987606
5-amino-4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]-1H-pyrimidin-6-one
CID 136790778
5-amino-4-[(3,3-difluoro-2-hydroxypropyl)amino]-1H-pyrimidin-6-one
CID 136790789
5-amino-4-[(2,2-difluoro-3-hydroxypropyl)amino]-1H-pyrimidin-6-one
CID 136849682
5-amino-2-(3-hydroxypropylamino)-1H-pyrimidin-6-one
CID 20498692
2,5-Diamino-6-(1-hydroxyethylamino)-3-methylpyrimidin-4-one
CID 21415604
2,5-Diamino-6-((2-hydroxyethyl)amino)-3-methylpyrimidin-4(3H)-one
CID 70633393
2,5-diamino-4-(1-hydroxyethylamino)-1H-pyrimidin-6-one
CID 135850745
5,6-Diamino-2-((2-hydroxyethyl)amino)pyrimidin-4(1H)-one
CID 136271498
2,5-Diamino-6-((2-hydroxyethyl)amino)pyrimidin-4(1H)-one
CID 136271499

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(3-hydroxypropylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(3-hydroxypropylamino)-1H-pyrimidin-6-one (CID 136973822) is 5-amino-4-(3-hydroxypropylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(3-hydroxypropylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(3-hydroxypropylamino)-1H-pyrimidin-6-one is Nc1c(NCCCO)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-(3-hydroxypropylamino)-1H-pyrimidin-6-one?
The InChIKey is YKYXNOAHCLCTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2/c8-5-6(9-2-1-3-12)10-4-11-7(5)13/h4,12H,1-3,8H2,(H2,9,10,11,13).
What are the key properties of 5-amino-4-(3-hydroxypropylamino)-1H-pyrimidin-6-one?
5-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 5-amino-4-(3-hydroxypropylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136973822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).