6-chloro-1-(cyclopropylmethyl)-3-methylpyrimidine-2,4-dione

C9H11ClN2O2 — CID 69197514

IUPAC6-chloro-1-(cyclopropylmethyl)-3-methylpyrimidine-2,4-dione
SMILESCn1c(=O)cc(Cl)n(CC2CC2)c1=O
InChIInChI=1S/C9H11ClN2O2/c1-11-8(13)4-7(10)12(9(11)14)5-6-2-3-6/h4,6H,2-3,5H2,1H3
InChIKeyNCAXDUANVVANMP-UHFFFAOYSA-N
MW214.65 g/mol
LogP0.61
Rot. Bonds2

About 6-chloro-1-(cyclopropylmethyl)-3-methylpyrimidine-2,4-dione

6-chloro-1-(cyclopropylmethyl)-3-methylpyrimidine-2,4-dione (PubChem CID 69197514) has the molecular formula C9H11ClN2O2 and a molecular weight of 214.65 g/mol. Its IUPAC name is 6-chloro-1-(cyclopropylmethyl)-3-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-chloro-1-(cyclopropylmethyl)-3-methylpyrimidine-2,4-dione
PubChem CID69197514
Molecular FormulaC9H11ClN2O2
Molecular Weight214.65 g/mol
Exact Mass214.05
IUPAC Name6-chloro-1-(cyclopropylmethyl)-3-methylpyrimidine-2,4-dione
SMILESCn1c(=O)cc(Cl)n(CC2CC2)c1=O
InChIInChI=1S/C9H11ClN2O2/c1-11-8(13)4-7(10)12(9(11)14)5-6-2-3-6/h4,6H,2-3,5H2,1H3
InChIKeyNCAXDUANVVANMP-UHFFFAOYSA-N
XLogP0.61
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-3-cyclopropyl-1-(cyclopropylmethyl)pyrimidine-2,4-dione
CID 71479917
6-chloro-1-ethyl-3-methylpyrimidine-2,4-dione
CID 816934
6-chloro-1-(cyclopropylmethyl)-3-(4-pyrazol-1-ylbut-2-ynyl)pyrimidine-2,4-dione
CID 71480025
8-chloro-1-(cyclopropylmethyl)-3,7-dimethylpurine-2,6-dione
CID 153298083
6-chloro-3-methyl-1-phosphanylpyrimidine-2,4-dione
CID 163703024
1-[(4-aminocyclohexyl)methyl]-3-methylbenzimidazol-2-one
CID 67339990
3-(cyclopropylmethyl)-1-methylquinazoline-2,4-dione
CID 90714195
1-(cyclobutylmethyl)-3-methylbenzimidazol-2-one
CID 115761324
6-amino-1,3-bis(cyclopropylmethyl)pyrimidine-2,4-dione
CID 18624515
8-chloro-1-(cyclopropylmethyl)-3-methyl-7H-purine-2,6-dione
CID 166290964
6-[[(4-hydroxycyclohexyl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 106133627
6-chloro-3-(cyclobutylmethyl)-2-propan-2-ylpyrimidin-4-one
CID 114584988

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(cyclopropylmethyl)-3-methylpyrimidine-2,4-dione?
The IUPAC name of 6-chloro-1-(cyclopropylmethyl)-3-methylpyrimidine-2,4-dione (CID 69197514) is 6-chloro-1-(cyclopropylmethyl)-3-methylpyrimidine-2,4-dione.
What is the SMILES notation for 6-chloro-1-(cyclopropylmethyl)-3-methylpyrimidine-2,4-dione?
The canonical SMILES for 6-chloro-1-(cyclopropylmethyl)-3-methylpyrimidine-2,4-dione is Cn1c(=O)cc(Cl)n(CC2CC2)c1=O.
What is the InChIKey of 6-chloro-1-(cyclopropylmethyl)-3-methylpyrimidine-2,4-dione?
The InChIKey is NCAXDUANVVANMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2/c1-11-8(13)4-7(10)12(9(11)14)5-6-2-3-6/h4,6H,2-3,5H2,1H3.
What are the key properties of 6-chloro-1-(cyclopropylmethyl)-3-methylpyrimidine-2,4-dione?
6-chloro-1-(cyclopropylmethyl)-3-methylpyrimidine-2,4-dione has a molecular weight of 214.65 g/mol, XLogP of 0.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(cyclopropylmethyl)-3-methylpyrimidine-2,4-dione is sourced from PubChem (CID 69197514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).