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

C8H13N3O2 — CID 136956028

IUPAC4-(3-hydroxypropylamino)-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NCCCO)cc(=O)[nH]1
InChIInChI=1S/C8H13N3O2/c1-6-10-7(5-8(13)11-6)9-3-2-4-12/h5,12H,2-4H2,1H3,(H2,9,10,11,13)
InChIKeyHVUWERPHCHIJRC-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.13
Rot. Bonds4

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

4-(3-hydroxypropylamino)-2-methyl-1H-pyrimidin-6-one (PubChem CID 136956028) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 4-(3-hydroxypropylamino)-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-hydroxypropylamino)-2-methyl-1H-pyrimidin-6-one
PubChem CID136956028
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name4-(3-hydroxypropylamino)-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NCCCO)cc(=O)[nH]1
InChIInChI=1S/C8H13N3O2/c1-6-10-7(5-8(13)11-6)9-3-2-4-12/h5,12H,2-4H2,1H3,(H2,9,10,11,13)
InChIKeyHVUWERPHCHIJRC-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-methyl-4-(pentylamino)-1H-pyrimidin-6-one
CID 136955955
4-(hexylamino)-2-methyl-1H-pyrimidin-6-one
CID 136956727
2-methyl-4-(5-methylhexylamino)-1H-pyrimidin-6-one
CID 136957022
4-[(5-hydroxy-2,2-dimethylpentyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136987605
2-methyl-4-[3-[methyl(propan-2-yl)amino]propylamino]-1H-pyrimidin-6-one
CID 137000544
3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
CID 136958373
2-methyl-4-(5,5,5-trifluoropentylamino)-1H-pyrimidin-6-one
CID 137015545
N-[2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]acetamide
CID 136956102
2-methyl-4-(3-propoxypropylamino)-1H-pyrimidin-6-one
CID 136957026
2-ethyl-4-(4-hydroxybutylamino)-1H-pyrimidin-6-one
CID 136772464
2-methyl-4-(3-pyrrolidin-1-ylpropylamino)-1H-pyrimidin-6-one
CID 136956622
4-(2-cyclopropylethylamino)-2-methyl-1H-pyrimidin-6-one
CID 136956867

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxypropylamino)-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-hydroxypropylamino)-2-methyl-1H-pyrimidin-6-one (CID 136956028) is 4-(3-hydroxypropylamino)-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-hydroxypropylamino)-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-hydroxypropylamino)-2-methyl-1H-pyrimidin-6-one is Cc1nc(NCCCO)cc(=O)[nH]1.
What is the InChIKey of 4-(3-hydroxypropylamino)-2-methyl-1H-pyrimidin-6-one?
The InChIKey is HVUWERPHCHIJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-6-10-7(5-8(13)11-6)9-3-2-4-12/h5,12H,2-4H2,1H3,(H2,9,10,11,13).
What are the key properties of 4-(3-hydroxypropylamino)-2-methyl-1H-pyrimidin-6-one?
4-(3-hydroxypropylamino)-2-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 4-(3-hydroxypropylamino)-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136956028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).