4-chloro-2-methyl-6-[4-(oxolan-3-yl)piperazin-1-yl]pyrimidine

C13H19ClN4O — CID 71846233

IUPAC4-chloro-2-methyl-6-[4-(oxolan-3-yl)piperazin-1-yl]pyrimidine
SMILESCc1nc(Cl)cc(N2CCN(C3CCOC3)CC2)n1
InChIInChI=1S/C13H19ClN4O/c1-10-15-12(14)8-13(16-10)18-5-3-17(4-6-18)11-2-7-19-9-11/h8,11H,2-7,9H2,1H3
InChIKeyFDDYFNNQHBLABP-UHFFFAOYSA-N
MW282.77 g/mol
LogP1.35
Rot. Bonds2

About 4-chloro-2-methyl-6-[4-(oxolan-3-yl)piperazin-1-yl]pyrimidine

4-chloro-2-methyl-6-[4-(oxolan-3-yl)piperazin-1-yl]pyrimidine (PubChem CID 71846233) has the molecular formula C13H19ClN4O and a molecular weight of 282.77 g/mol. Its IUPAC name is 4-chloro-2-methyl-6-[4-(oxolan-3-yl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-methyl-6-[4-(oxolan-3-yl)piperazin-1-yl]pyrimidine
PubChem CID71846233
Molecular FormulaC13H19ClN4O
Molecular Weight282.77 g/mol
Exact Mass282.12
IUPAC Name4-chloro-2-methyl-6-[4-(oxolan-3-yl)piperazin-1-yl]pyrimidine
SMILESCc1nc(Cl)cc(N2CCN(C3CCOC3)CC2)n1
InChIInChI=1S/C13H19ClN4O/c1-10-15-12(14)8-13(16-10)18-5-3-17(4-6-18)11-2-7-19-9-11/h8,11H,2-7,9H2,1H3
InChIKeyFDDYFNNQHBLABP-UHFFFAOYSA-N
XLogP1.35
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-6-[4-(oxolan-3-yl)piperazin-1-yl]pyrimidine?
The IUPAC name of 4-chloro-2-methyl-6-[4-(oxolan-3-yl)piperazin-1-yl]pyrimidine (CID 71846233) is 4-chloro-2-methyl-6-[4-(oxolan-3-yl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 4-chloro-2-methyl-6-[4-(oxolan-3-yl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 4-chloro-2-methyl-6-[4-(oxolan-3-yl)piperazin-1-yl]pyrimidine is Cc1nc(Cl)cc(N2CCN(C3CCOC3)CC2)n1.
What is the InChIKey of 4-chloro-2-methyl-6-[4-(oxolan-3-yl)piperazin-1-yl]pyrimidine?
The InChIKey is FDDYFNNQHBLABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O/c1-10-15-12(14)8-13(16-10)18-5-3-17(4-6-18)11-2-7-19-9-11/h8,11H,2-7,9H2,1H3.
What are the key properties of 4-chloro-2-methyl-6-[4-(oxolan-3-yl)piperazin-1-yl]pyrimidine?
4-chloro-2-methyl-6-[4-(oxolan-3-yl)piperazin-1-yl]pyrimidine has a molecular weight of 282.77 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-6-[4-(oxolan-3-yl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 71846233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).