4-[2-hydroxyethyl(prop-2-enyl)amino]-2-methyl-1H-pyrimidin-6-one

C10H15N3O2 — CID 136979848

IUPAC4-[2-hydroxyethyl(prop-2-enyl)amino]-2-methyl-1H-pyrimidin-6-one
SMILESC=CCN(CCO)c1cc(=O)[nH]c(C)n1
InChIInChI=1S/C10H15N3O2/c1-3-4-13(5-6-14)9-7-10(15)12-8(2)11-9/h3,7,14H,1,4-6H2,2H3,(H,11,12,15)
InChIKeyBFIGDEHLNKYKCE-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.06
Rot. Bonds5

About 4-[2-hydroxyethyl(prop-2-enyl)amino]-2-methyl-1H-pyrimidin-6-one

4-[2-hydroxyethyl(prop-2-enyl)amino]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136979848) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-[2-hydroxyethyl(prop-2-enyl)amino]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-hydroxyethyl(prop-2-enyl)amino]-2-methyl-1H-pyrimidin-6-one
PubChem CID136979848
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name4-[2-hydroxyethyl(prop-2-enyl)amino]-2-methyl-1H-pyrimidin-6-one
SMILESC=CCN(CCO)c1cc(=O)[nH]c(C)n1
InChIInChI=1S/C10H15N3O2/c1-3-4-13(5-6-14)9-7-10(15)12-8(2)11-9/h3,7,14H,1,4-6H2,2H3,(H,11,12,15)
InChIKeyBFIGDEHLNKYKCE-UHFFFAOYSA-N
XLogP0.06
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[2-hydroxyethyl(pentan-3-yl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136979604
2-[(5-methyl-2-pyridinyl)-prop-2-enylamino]ethanol
CID 115744703
4-[bis(cyclopropylmethyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136957917
2-[ethyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-dimethylacetamide
CID 137015594
2-[(5-bromo-4-methyl-2-pyridinyl)-prop-2-enylamino]ethanol
CID 75496488
4-[cyclopropylmethyl(propyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136957507
4-[bis(prop-2-enyl)amino]-6-methyl-1H-1,3,5-triazin-2-one
CID 164932532
4-[ethyl(2-methylbutyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136958004
4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136737796
2-[cyclopropylmethyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
CID 136958479
4-(N-butylanilino)-2-methyl-1H-pyrimidin-6-one
CID 136957955
2-[(4,5-dimethyl-1,3-thiazol-2-yl)-prop-2-enylamino]ethanol
CID 115744732

Frequently Asked Questions

What is the IUPAC name of 4-[2-hydroxyethyl(prop-2-enyl)amino]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-hydroxyethyl(prop-2-enyl)amino]-2-methyl-1H-pyrimidin-6-one (CID 136979848) is 4-[2-hydroxyethyl(prop-2-enyl)amino]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-hydroxyethyl(prop-2-enyl)amino]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-hydroxyethyl(prop-2-enyl)amino]-2-methyl-1H-pyrimidin-6-one is C=CCN(CCO)c1cc(=O)[nH]c(C)n1.
What is the InChIKey of 4-[2-hydroxyethyl(prop-2-enyl)amino]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is BFIGDEHLNKYKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-3-4-13(5-6-14)9-7-10(15)12-8(2)11-9/h3,7,14H,1,4-6H2,2H3,(H,11,12,15).
What are the key properties of 4-[2-hydroxyethyl(prop-2-enyl)amino]-2-methyl-1H-pyrimidin-6-one?
4-[2-hydroxyethyl(prop-2-enyl)amino]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 209.25 g/mol, XLogP of 0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-hydroxyethyl(prop-2-enyl)amino]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136979848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).