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

C8H13N3O2 — CID 135452324

IUPAC2-(3-hydroxypropylamino)-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(NCCCO)n1
InChIInChI=1S/C8H13N3O2/c1-6-5-7(13)11-8(10-6)9-3-2-4-12/h5,12H,2-4H2,1H3,(H2,9,10,11,13)
InChIKeyYAYNQCVSPQCVIV-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.13
Rot. Bonds4

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

2-(3-hydroxypropylamino)-4-methyl-1H-pyrimidin-6-one (PubChem CID 135452324) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-(3-hydroxypropylamino)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3-hydroxypropylamino)-4-methyl-1H-pyrimidin-6-one
PubChem CID135452324
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name2-(3-hydroxypropylamino)-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(NCCCO)n1
InChIInChI=1S/C8H13N3O2/c1-6-5-7(13)11-8(10-6)9-3-2-4-12/h5,12H,2-4H2,1H3,(H2,9,10,11,13)
InChIKeyYAYNQCVSPQCVIV-UHFFFAOYSA-N
XLogP-0.13
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.13
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-[(2-hydroxyethyl)amino]-6-methylpyrimidin-4(3H)-one
CID 135403602
2-Amino-6-((3-hydroxy-2,2-dimethylpropyl)amino)-4-pyrimidinol
CID 135406826
2-(4-hydroxybutylamino)-4-methyl-1H-pyrimidin-6-one
CID 135451986
2-Amino-6-((3-hydroxypropyl)amino)-4-pyrimidinol
CID 135489793
2-(2-Hydroxyethylamino)-3,6-dimethylpyrimidin-4(3h)-one
CID 11615291
2-(2-Hydroxyethyl)amino-1,6-dimethyl-pyrimidin-4(1h)-one
CID 12139398
2-(1-hydroxybutan-2-ylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136350763
2-(3-methoxypropylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136388258
2-(3-hydroxypropylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136388265
2-[Bis(2-hydroxyethyl)amino]-6-methylpyrimidin-4(1h)-one
CID 135459400
3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]propanoic acid
CID 135778559
2-Butylamino-6-methylpyrimidin-4-one
CID 135773302

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropylamino)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(3-hydroxypropylamino)-4-methyl-1H-pyrimidin-6-one (CID 135452324) is 2-(3-hydroxypropylamino)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3-hydroxypropylamino)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3-hydroxypropylamino)-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(NCCCO)n1.
What is the InChIKey of 2-(3-hydroxypropylamino)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is YAYNQCVSPQCVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-6-5-7(13)11-8(10-6)9-3-2-4-12/h5,12H,2-4H2,1H3,(H2,9,10,11,13).
What are the key properties of 2-(3-hydroxypropylamino)-4-methyl-1H-pyrimidin-6-one?
2-(3-hydroxypropylamino)-4-methyl-1H-pyrimidin-6-one has a molecular weight of 183.21 g/mol, XLogP of -0.13, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropylamino)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135452324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).