4-chloro-2-(4-methylpiperidin-1-yl)-6-pyrrolidin-1-ylpyrimidine

C14H21ClN4 — CID 166460131

IUPAC4-chloro-2-(4-methylpiperidin-1-yl)-6-pyrrolidin-1-ylpyrimidine
SMILESCC1CCN(c2nc(Cl)cc(N3CCCC3)n2)CC1
InChIInChI=1S/C14H21ClN4/c1-11-4-8-19(9-5-11)14-16-12(15)10-13(17-14)18-6-2-3-7-18/h10-11H,2-9H2,1H3
InChIKeyIQRUNHXDHTUGDW-UHFFFAOYSA-N
MW280.80 g/mol
LogP2.97
Rot. Bonds2

About 4-chloro-2-(4-methylpiperidin-1-yl)-6-pyrrolidin-1-ylpyrimidine

4-chloro-2-(4-methylpiperidin-1-yl)-6-pyrrolidin-1-ylpyrimidine (PubChem CID 166460131) has the molecular formula C14H21ClN4 and a molecular weight of 280.80 g/mol. Its IUPAC name is 4-chloro-2-(4-methylpiperidin-1-yl)-6-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(4-methylpiperidin-1-yl)-6-pyrrolidin-1-ylpyrimidine
PubChem CID166460131
Molecular FormulaC14H21ClN4
Molecular Weight280.80 g/mol
Exact Mass280.15
IUPAC Name4-chloro-2-(4-methylpiperidin-1-yl)-6-pyrrolidin-1-ylpyrimidine
SMILESCC1CCN(c2nc(Cl)cc(N3CCCC3)n2)CC1
InChIInChI=1S/C14H21ClN4/c1-11-4-8-19(9-5-11)14-16-12(15)10-13(17-14)18-6-2-3-7-18/h10-11H,2-9H2,1H3
InChIKeyIQRUNHXDHTUGDW-UHFFFAOYSA-N
XLogP2.97
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-methylpiperidin-1-yl)-6-pyrrolidin-1-ylpyrimidine?
The IUPAC name of 4-chloro-2-(4-methylpiperidin-1-yl)-6-pyrrolidin-1-ylpyrimidine (CID 166460131) is 4-chloro-2-(4-methylpiperidin-1-yl)-6-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 4-chloro-2-(4-methylpiperidin-1-yl)-6-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for 4-chloro-2-(4-methylpiperidin-1-yl)-6-pyrrolidin-1-ylpyrimidine is CC1CCN(c2nc(Cl)cc(N3CCCC3)n2)CC1.
What is the InChIKey of 4-chloro-2-(4-methylpiperidin-1-yl)-6-pyrrolidin-1-ylpyrimidine?
The InChIKey is IQRUNHXDHTUGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4/c1-11-4-8-19(9-5-11)14-16-12(15)10-13(17-14)18-6-2-3-7-18/h10-11H,2-9H2,1H3.
What are the key properties of 4-chloro-2-(4-methylpiperidin-1-yl)-6-pyrrolidin-1-ylpyrimidine?
4-chloro-2-(4-methylpiperidin-1-yl)-6-pyrrolidin-1-ylpyrimidine has a molecular weight of 280.80 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-(4-methylpiperidin-1-yl)-6-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 166460131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).