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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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).