4-chloro-5-methyl-6-(4-propan-2-ylpiperidin-1-yl)pyrimidine

C13H20ClN3 — CID 103500926

IUPAC4-chloro-5-methyl-6-(4-propan-2-ylpiperidin-1-yl)pyrimidine
SMILESCc1c(Cl)ncnc1N1CCC(C(C)C)CC1
InChIInChI=1S/C13H20ClN3/c1-9(2)11-4-6-17(7-5-11)13-10(3)12(14)15-8-16-13/h8-9,11H,4-7H2,1-3H3
InChIKeyVDCLNMMDRRKZRY-UHFFFAOYSA-N
MW253.78 g/mol
LogP3.31
Rot. Bonds2

About 4-chloro-5-methyl-6-(4-propan-2-ylpiperidin-1-yl)pyrimidine

4-chloro-5-methyl-6-(4-propan-2-ylpiperidin-1-yl)pyrimidine (PubChem CID 103500926) has the molecular formula C13H20ClN3 and a molecular weight of 253.78 g/mol. Its IUPAC name is 4-chloro-5-methyl-6-(4-propan-2-ylpiperidin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-5-methyl-6-(4-propan-2-ylpiperidin-1-yl)pyrimidine
PubChem CID103500926
Molecular FormulaC13H20ClN3
Molecular Weight253.78 g/mol
Exact Mass253.13
IUPAC Name4-chloro-5-methyl-6-(4-propan-2-ylpiperidin-1-yl)pyrimidine
SMILESCc1c(Cl)ncnc1N1CCC(C(C)C)CC1
InChIInChI=1S/C13H20ClN3/c1-9(2)11-4-6-17(7-5-11)13-10(3)12(14)15-8-16-13/h8-9,11H,4-7H2,1-3H3
InChIKeyVDCLNMMDRRKZRY-UHFFFAOYSA-N
XLogP3.31
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.78
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methyl-6-(4-propan-2-ylpiperidin-1-yl)pyrimidine?
The IUPAC name of 4-chloro-5-methyl-6-(4-propan-2-ylpiperidin-1-yl)pyrimidine (CID 103500926) is 4-chloro-5-methyl-6-(4-propan-2-ylpiperidin-1-yl)pyrimidine.
What is the SMILES notation for 4-chloro-5-methyl-6-(4-propan-2-ylpiperidin-1-yl)pyrimidine?
The canonical SMILES for 4-chloro-5-methyl-6-(4-propan-2-ylpiperidin-1-yl)pyrimidine is Cc1c(Cl)ncnc1N1CCC(C(C)C)CC1.
What is the InChIKey of 4-chloro-5-methyl-6-(4-propan-2-ylpiperidin-1-yl)pyrimidine?
The InChIKey is VDCLNMMDRRKZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3/c1-9(2)11-4-6-17(7-5-11)13-10(3)12(14)15-8-16-13/h8-9,11H,4-7H2,1-3H3.
What are the key properties of 4-chloro-5-methyl-6-(4-propan-2-ylpiperidin-1-yl)pyrimidine?
4-chloro-5-methyl-6-(4-propan-2-ylpiperidin-1-yl)pyrimidine has a molecular weight of 253.78 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methyl-6-(4-propan-2-ylpiperidin-1-yl)pyrimidine is sourced from PubChem (CID 103500926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).