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

C11H13ClN2O2 — CID 71479917

IUPAC6-chloro-3-cyclopropyl-1-(cyclopropylmethyl)pyrimidine-2,4-dione
SMILESO=c1cc(Cl)n(CC2CC2)c(=O)n1C1CC1
InChIInChI=1S/C11H13ClN2O2/c12-9-5-10(15)14(8-3-4-8)11(16)13(9)6-7-1-2-7/h5,7-8H,1-4,6H2
InChIKeyKMEGCBLRZQUZPS-UHFFFAOYSA-N
MW240.69 g/mol
LogP1.41
Rot. Bonds3

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

6-chloro-3-cyclopropyl-1-(cyclopropylmethyl)pyrimidine-2,4-dione (PubChem CID 71479917) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is 6-chloro-3-cyclopropyl-1-(cyclopropylmethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-chloro-3-cyclopropyl-1-(cyclopropylmethyl)pyrimidine-2,4-dione
PubChem CID71479917
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC Name6-chloro-3-cyclopropyl-1-(cyclopropylmethyl)pyrimidine-2,4-dione
SMILESO=c1cc(Cl)n(CC2CC2)c(=O)n1C1CC1
InChIInChI=1S/C11H13ClN2O2/c12-9-5-10(15)14(8-3-4-8)11(16)13(9)6-7-1-2-7/h5,7-8H,1-4,6H2
InChIKeyKMEGCBLRZQUZPS-UHFFFAOYSA-N
XLogP1.41
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-cyclopropyl-1-(cyclopropylmethyl)pyrimidine-2,4-dione?
The IUPAC name of 6-chloro-3-cyclopropyl-1-(cyclopropylmethyl)pyrimidine-2,4-dione (CID 71479917) is 6-chloro-3-cyclopropyl-1-(cyclopropylmethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-chloro-3-cyclopropyl-1-(cyclopropylmethyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-chloro-3-cyclopropyl-1-(cyclopropylmethyl)pyrimidine-2,4-dione is O=c1cc(Cl)n(CC2CC2)c(=O)n1C1CC1.
What is the InChIKey of 6-chloro-3-cyclopropyl-1-(cyclopropylmethyl)pyrimidine-2,4-dione?
The InChIKey is KMEGCBLRZQUZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2/c12-9-5-10(15)14(8-3-4-8)11(16)13(9)6-7-1-2-7/h5,7-8H,1-4,6H2.
What are the key properties of 6-chloro-3-cyclopropyl-1-(cyclopropylmethyl)pyrimidine-2,4-dione?
6-chloro-3-cyclopropyl-1-(cyclopropylmethyl)pyrimidine-2,4-dione has a molecular weight of 240.69 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-cyclopropyl-1-(cyclopropylmethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 71479917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).