2-chloro-4-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidine

C13H19ClN4 — CID 22308329

IUPAC2-chloro-4-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidine
SMILESClc1nccc(N2CCC(N3CCCC3)CC2)n1
InChIInChI=1S/C13H19ClN4/c14-13-15-6-3-12(16-13)18-9-4-11(5-10-18)17-7-1-2-8-17/h3,6,11H,1-2,4-5,7-10H2
InChIKeyUUHGTEROROLQBN-UHFFFAOYSA-N
MW266.78 g/mol
LogP2.19
Rot. Bonds2

About 2-chloro-4-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidine

2-chloro-4-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidine (PubChem CID 22308329) has the molecular formula C13H19ClN4 and a molecular weight of 266.78 g/mol. Its IUPAC name is 2-chloro-4-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidine
PubChem CID22308329
Molecular FormulaC13H19ClN4
Molecular Weight266.78 g/mol
Exact Mass266.13
IUPAC Name2-chloro-4-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidine
SMILESClc1nccc(N2CCC(N3CCCC3)CC2)n1
InChIInChI=1S/C13H19ClN4/c14-13-15-6-3-12(16-13)18-9-4-11(5-10-18)17-7-1-2-8-17/h3,6,11H,1-2,4-5,7-10H2
InChIKeyUUHGTEROROLQBN-UHFFFAOYSA-N
XLogP2.19
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.78
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidine?
The IUPAC name of 2-chloro-4-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidine (CID 22308329) is 2-chloro-4-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidine.
What is the SMILES notation for 2-chloro-4-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidine?
The canonical SMILES for 2-chloro-4-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidine is Clc1nccc(N2CCC(N3CCCC3)CC2)n1.
What is the InChIKey of 2-chloro-4-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidine?
The InChIKey is UUHGTEROROLQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4/c14-13-15-6-3-12(16-13)18-9-4-11(5-10-18)17-7-1-2-8-17/h3,6,11H,1-2,4-5,7-10H2.
What are the key properties of 2-chloro-4-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidine?
2-chloro-4-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidine has a molecular weight of 266.78 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidine is sourced from PubChem (CID 22308329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).