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

C15H23ClN4 — CID 79076184

IUPAC2-chloro-5-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine
SMILESCc1cnc(Cl)nc1N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C15H23ClN4/c1-12-11-17-15(16)18-14(12)20-9-5-13(6-10-20)19-7-3-2-4-8-19/h11,13H,2-10H2,1H3
InChIKeyZLEQWQPGGICAMK-UHFFFAOYSA-N
MW294.83 g/mol
LogP2.89
Rot. Bonds2

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

2-chloro-5-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine (PubChem CID 79076184) has the molecular formula C15H23ClN4 and a molecular weight of 294.83 g/mol. Its IUPAC name is 2-chloro-5-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine.

Molecular Properties

Compound Name2-chloro-5-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine
PubChem CID79076184
Molecular FormulaC15H23ClN4
Molecular Weight294.83 g/mol
Exact Mass294.16
IUPAC Name2-chloro-5-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine
SMILESCc1cnc(Cl)nc1N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C15H23ClN4/c1-12-11-17-15(16)18-14(12)20-9-5-13(6-10-20)19-7-3-2-4-8-19/h11,13H,2-10H2,1H3
InChIKeyZLEQWQPGGICAMK-UHFFFAOYSA-N
XLogP2.89
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine?
The IUPAC name of 2-chloro-5-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine (CID 79076184) is 2-chloro-5-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine.
What is the SMILES notation for 2-chloro-5-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine?
The canonical SMILES for 2-chloro-5-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine is Cc1cnc(Cl)nc1N1CCC(N2CCCCC2)CC1.
What is the InChIKey of 2-chloro-5-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine?
The InChIKey is ZLEQWQPGGICAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN4/c1-12-11-17-15(16)18-14(12)20-9-5-13(6-10-20)19-7-3-2-4-8-19/h11,13H,2-10H2,1H3.
What are the key properties of 2-chloro-5-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine?
2-chloro-5-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine has a molecular weight of 294.83 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine is sourced from PubChem (CID 79076184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).