5-chloro-4-[ethyl(2-methylprop-2-enyl)amino]-1H-pyrimidin-6-one

C10H14ClN3O — CID 136970954

IUPAC5-chloro-4-[ethyl(2-methylprop-2-enyl)amino]-1H-pyrimidin-6-one
SMILESC=C(C)CN(CC)c1nc[nH]c(=O)c1Cl
InChIInChI=1S/C10H14ClN3O/c1-4-14(5-7(2)3)9-8(11)10(15)13-6-12-9/h6H,2,4-5H2,1,3H3,(H,12,13,15)
InChIKeyNAMNCJAVXIVIQY-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.83
Rot. Bonds4

About 5-chloro-4-[ethyl(2-methylprop-2-enyl)amino]-1H-pyrimidin-6-one

5-chloro-4-[ethyl(2-methylprop-2-enyl)amino]-1H-pyrimidin-6-one (PubChem CID 136970954) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 5-chloro-4-[ethyl(2-methylprop-2-enyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-[ethyl(2-methylprop-2-enyl)amino]-1H-pyrimidin-6-one
PubChem CID136970954
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name5-chloro-4-[ethyl(2-methylprop-2-enyl)amino]-1H-pyrimidin-6-one
SMILESC=C(C)CN(CC)c1nc[nH]c(=O)c1Cl
InChIInChI=1S/C10H14ClN3O/c1-4-14(5-7(2)3)9-8(11)10(15)13-6-12-9/h6H,2,4-5H2,1,3H3,(H,12,13,15)
InChIKeyNAMNCJAVXIVIQY-UHFFFAOYSA-N
XLogP1.83
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-ethylamino]-N-methylacetamide
CID 137009190
4-[2-aminoethyl(ethyl)amino]-5-chloro-1H-pyrimidin-6-one
CID 137008333
5-chloro-4-[2-hydroxyethyl(2-methoxyethyl)amino]-1H-pyrimidin-6-one
CID 136979824
4-[butyl(methyl)amino]-5-chloro-1H-pyrimidin-6-one
CID 137009015
methyl 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetate
CID 137007500
methyl 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-ethylamino]acetate
CID 137007634
5-chloro-4-[2,2-dimethylpropyl(methyl)amino]-1H-pyrimidin-6-one
CID 137009363
5-chloro-N-ethyl-3-fluoro-N-(2-methylprop-2-enyl)pyridin-2-amine
CID 79727979
5-chloro-4-[cyclopropyl(propyl)amino]-1H-pyrimidin-6-one
CID 136970750
5-chloro-4-[2,2-difluoroethyl(methyl)amino]-1H-pyrimidin-6-one
CID 137009951
3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile
CID 136973019
5-chloro-4-[2-methoxyethyl(pentan-3-yl)amino]-1H-pyrimidin-6-one
CID 136971115

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[ethyl(2-methylprop-2-enyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-[ethyl(2-methylprop-2-enyl)amino]-1H-pyrimidin-6-one (CID 136970954) is 5-chloro-4-[ethyl(2-methylprop-2-enyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-[ethyl(2-methylprop-2-enyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-[ethyl(2-methylprop-2-enyl)amino]-1H-pyrimidin-6-one is C=C(C)CN(CC)c1nc[nH]c(=O)c1Cl.
What is the InChIKey of 5-chloro-4-[ethyl(2-methylprop-2-enyl)amino]-1H-pyrimidin-6-one?
The InChIKey is NAMNCJAVXIVIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-4-14(5-7(2)3)9-8(11)10(15)13-6-12-9/h6H,2,4-5H2,1,3H3,(H,12,13,15).
What are the key properties of 5-chloro-4-[ethyl(2-methylprop-2-enyl)amino]-1H-pyrimidin-6-one?
5-chloro-4-[ethyl(2-methylprop-2-enyl)amino]-1H-pyrimidin-6-one has a molecular weight of 227.69 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[ethyl(2-methylprop-2-enyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136970954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).