4-chloro-5-propan-2-yl-6-pyrrolidin-1-ylpyrimidine

C11H16ClN3 — CID 63736116

IUPAC4-chloro-5-propan-2-yl-6-pyrrolidin-1-ylpyrimidine
SMILESCC(C)c1c(Cl)ncnc1N1CCCC1
InChIInChI=1S/C11H16ClN3/c1-8(2)9-10(12)13-7-14-11(9)15-5-3-4-6-15/h7-8H,3-6H2,1-2H3
InChIKeyNZYIREBHFJPNFL-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.85
Rot. Bonds2

About 4-chloro-5-propan-2-yl-6-pyrrolidin-1-ylpyrimidine

4-chloro-5-propan-2-yl-6-pyrrolidin-1-ylpyrimidine (PubChem CID 63736116) has the molecular formula C11H16ClN3 and a molecular weight of 225.72 g/mol. Its IUPAC name is 4-chloro-5-propan-2-yl-6-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-5-propan-2-yl-6-pyrrolidin-1-ylpyrimidine
PubChem CID63736116
Molecular FormulaC11H16ClN3
Molecular Weight225.72 g/mol
Exact Mass225.10
IUPAC Name4-chloro-5-propan-2-yl-6-pyrrolidin-1-ylpyrimidine
SMILESCC(C)c1c(Cl)ncnc1N1CCCC1
InChIInChI=1S/C11H16ClN3/c1-8(2)9-10(12)13-7-14-11(9)15-5-3-4-6-15/h7-8H,3-6H2,1-2H3
InChIKeyNZYIREBHFJPNFL-UHFFFAOYSA-N
XLogP2.85
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-propan-2-yl-6-pyrrolidin-1-ylpyrimidine?
The IUPAC name of 4-chloro-5-propan-2-yl-6-pyrrolidin-1-ylpyrimidine (CID 63736116) is 4-chloro-5-propan-2-yl-6-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 4-chloro-5-propan-2-yl-6-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for 4-chloro-5-propan-2-yl-6-pyrrolidin-1-ylpyrimidine is CC(C)c1c(Cl)ncnc1N1CCCC1.
What is the InChIKey of 4-chloro-5-propan-2-yl-6-pyrrolidin-1-ylpyrimidine?
The InChIKey is NZYIREBHFJPNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3/c1-8(2)9-10(12)13-7-14-11(9)15-5-3-4-6-15/h7-8H,3-6H2,1-2H3.
What are the key properties of 4-chloro-5-propan-2-yl-6-pyrrolidin-1-ylpyrimidine?
4-chloro-5-propan-2-yl-6-pyrrolidin-1-ylpyrimidine has a molecular weight of 225.72 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-propan-2-yl-6-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 63736116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).