2-ethyl-4-(4-hydroxybutylamino)-1H-pyrimidin-6-one

C10H17N3O2 — CID 136772464

IUPAC2-ethyl-4-(4-hydroxybutylamino)-1H-pyrimidin-6-one
SMILESCCc1nc(NCCCCO)cc(=O)[nH]1
InChIInChI=1S/C10H17N3O2/c1-2-8-12-9(7-10(15)13-8)11-5-3-4-6-14/h7,14H,2-6H2,1H3,(H2,11,12,13,15)
InChIKeyUASJTOOUZTVEEI-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.52
Rot. Bonds6

About 2-ethyl-4-(4-hydroxybutylamino)-1H-pyrimidin-6-one

2-ethyl-4-(4-hydroxybutylamino)-1H-pyrimidin-6-one (PubChem CID 136772464) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-ethyl-4-(4-hydroxybutylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-(4-hydroxybutylamino)-1H-pyrimidin-6-one
PubChem CID136772464
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name2-ethyl-4-(4-hydroxybutylamino)-1H-pyrimidin-6-one
SMILESCCc1nc(NCCCCO)cc(=O)[nH]1
InChIInChI=1S/C10H17N3O2/c1-2-8-12-9(7-10(15)13-8)11-5-3-4-6-14/h7,14H,2-6H2,1H3,(H2,11,12,13,15)
InChIKeyUASJTOOUZTVEEI-UHFFFAOYSA-N
XLogP0.52
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.52
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

6-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid
CID 136958362
4-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide
CID 136974133
2-ethyl-4-(4-hydroxypentylamino)-1H-pyrimidin-6-one
CID 136902417
2-ethyl-4-(pent-4-ynylamino)-1H-pyrimidin-6-one
CID 136882486
2-ethyl-4-(2-ethylsulfonylethylamino)-1H-pyrimidin-6-one
CID 136750490
ethyl 4-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoate
CID 136959024
2-ethyl-4-[4-[methyl(propan-2-yl)amino]butylamino]-1H-pyrimidin-6-one
CID 136975212
4-(3-hydroxypropylamino)-2-methyl-1H-pyrimidin-6-one
CID 136956028
2-ethyl-4-(3-pyrrolidin-1-ylpropylamino)-1H-pyrimidin-6-one
CID 136975586
2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl carbamate
CID 136976721
6-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-4,4-dimethylhexanoic acid
CID 136959105
4-[2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]benzoic acid
CID 136958484

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(4-hydroxybutylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-(4-hydroxybutylamino)-1H-pyrimidin-6-one (CID 136772464) is 2-ethyl-4-(4-hydroxybutylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-(4-hydroxybutylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-(4-hydroxybutylamino)-1H-pyrimidin-6-one is CCc1nc(NCCCCO)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-(4-hydroxybutylamino)-1H-pyrimidin-6-one?
The InChIKey is UASJTOOUZTVEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-2-8-12-9(7-10(15)13-8)11-5-3-4-6-14/h7,14H,2-6H2,1H3,(H2,11,12,13,15).
What are the key properties of 2-ethyl-4-(4-hydroxybutylamino)-1H-pyrimidin-6-one?
2-ethyl-4-(4-hydroxybutylamino)-1H-pyrimidin-6-one has a molecular weight of 211.26 g/mol, XLogP of 0.52, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(4-hydroxybutylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136772464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).