4-chloro-2-(3,3-difluoropiperidin-1-yl)-6-pyrrolidin-1-ylpyrimidine

C13H17ClF2N4 — CID 166460339

IUPAC4-chloro-2-(3,3-difluoropiperidin-1-yl)-6-pyrrolidin-1-ylpyrimidine
SMILESFC1(F)CCCN(c2nc(Cl)cc(N3CCCC3)n2)C1
InChIInChI=1S/C13H17ClF2N4/c14-10-8-11(19-5-1-2-6-19)18-12(17-10)20-7-3-4-13(15,16)9-20/h8H,1-7,9H2
InChIKeyMQNCUTDWIIQVPD-UHFFFAOYSA-N
MW302.76 g/mol
LogP2.97
Rot. Bonds2

About 4-chloro-2-(3,3-difluoropiperidin-1-yl)-6-pyrrolidin-1-ylpyrimidine

4-chloro-2-(3,3-difluoropiperidin-1-yl)-6-pyrrolidin-1-ylpyrimidine (PubChem CID 166460339) has the molecular formula C13H17ClF2N4 and a molecular weight of 302.76 g/mol. Its IUPAC name is 4-chloro-2-(3,3-difluoropiperidin-1-yl)-6-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(3,3-difluoropiperidin-1-yl)-6-pyrrolidin-1-ylpyrimidine
PubChem CID166460339
Molecular FormulaC13H17ClF2N4
Molecular Weight302.76 g/mol
Exact Mass302.11
IUPAC Name4-chloro-2-(3,3-difluoropiperidin-1-yl)-6-pyrrolidin-1-ylpyrimidine
SMILESFC1(F)CCCN(c2nc(Cl)cc(N3CCCC3)n2)C1
InChIInChI=1S/C13H17ClF2N4/c14-10-8-11(19-5-1-2-6-19)18-12(17-10)20-7-3-4-13(15,16)9-20/h8H,1-7,9H2
InChIKeyMQNCUTDWIIQVPD-UHFFFAOYSA-N
XLogP2.97
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Chloro-6-(pyrrolidin-1-yl)pyrimidin-2-amine
CID 1481938
4-Chloro-6-piperidin-1-ylpyrimidine
CID 597870
4-Chloro-6-(pyrrolidin-1-yl)pyrimidine
CID 22309524
4-Chloro-2,6-di(pyrrolidin-1-yl)pyrimidine
CID 703699
4-Chloro-2-methyl-6-pyrrolidin-1-yl-pyrimidine
CID 40787016
3-(6-Chloropyrimidin-4-yl)-8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane
CID 134789142
4-Chloro-6-piperidin-1-yl-pyrimidin-2-ylamine
CID 1484289
4,6-Dichloro-2-(piperidin-1-yl)pyrimidine
CID 231258
2,4-Difluoro-6-piperidinopyrimidine
CID 598527
4-Chloro-2,6-di(piperidin-1-yl)pyrimidine
CID 248641
4-Chloro-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine
CID 25918903
6-Chloro-2-piperidin-1-ylpyrimidin-4-amine
CID 44474396

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3,3-difluoropiperidin-1-yl)-6-pyrrolidin-1-ylpyrimidine?
The IUPAC name of 4-chloro-2-(3,3-difluoropiperidin-1-yl)-6-pyrrolidin-1-ylpyrimidine (CID 166460339) is 4-chloro-2-(3,3-difluoropiperidin-1-yl)-6-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 4-chloro-2-(3,3-difluoropiperidin-1-yl)-6-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for 4-chloro-2-(3,3-difluoropiperidin-1-yl)-6-pyrrolidin-1-ylpyrimidine is FC1(F)CCCN(c2nc(Cl)cc(N3CCCC3)n2)C1.
What is the InChIKey of 4-chloro-2-(3,3-difluoropiperidin-1-yl)-6-pyrrolidin-1-ylpyrimidine?
The InChIKey is MQNCUTDWIIQVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClF2N4/c14-10-8-11(19-5-1-2-6-19)18-12(17-10)20-7-3-4-13(15,16)9-20/h8H,1-7,9H2.
What are the key properties of 4-chloro-2-(3,3-difluoropiperidin-1-yl)-6-pyrrolidin-1-ylpyrimidine?
4-chloro-2-(3,3-difluoropiperidin-1-yl)-6-pyrrolidin-1-ylpyrimidine has a molecular weight of 302.76 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3,3-difluoropiperidin-1-yl)-6-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 166460339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).