4-chloro-2-cyclopropyl-5-methyl-6-pyrrolidin-1-ylpyrimidine

C12H16ClN3 — CID 80971319

IUPAC4-chloro-2-cyclopropyl-5-methyl-6-pyrrolidin-1-ylpyrimidine
SMILESCc1c(Cl)nc(C2CC2)nc1N1CCCC1
InChIInChI=1S/C12H16ClN3/c1-8-10(13)14-11(9-4-5-9)15-12(8)16-6-2-3-7-16/h9H,2-7H2,1H3
InChIKeyWUHRMMZRCUTFEJ-UHFFFAOYSA-N
MW237.73 g/mol
LogP2.92
Rot. Bonds2

About 4-chloro-2-cyclopropyl-5-methyl-6-pyrrolidin-1-ylpyrimidine

4-chloro-2-cyclopropyl-5-methyl-6-pyrrolidin-1-ylpyrimidine (PubChem CID 80971319) has the molecular formula C12H16ClN3 and a molecular weight of 237.73 g/mol. Its IUPAC name is 4-chloro-2-cyclopropyl-5-methyl-6-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-cyclopropyl-5-methyl-6-pyrrolidin-1-ylpyrimidine
PubChem CID80971319
Molecular FormulaC12H16ClN3
Molecular Weight237.73 g/mol
Exact Mass237.10
IUPAC Name4-chloro-2-cyclopropyl-5-methyl-6-pyrrolidin-1-ylpyrimidine
SMILESCc1c(Cl)nc(C2CC2)nc1N1CCCC1
InChIInChI=1S/C12H16ClN3/c1-8-10(13)14-11(9-4-5-9)15-12(8)16-6-2-3-7-16/h9H,2-7H2,1H3
InChIKeyWUHRMMZRCUTFEJ-UHFFFAOYSA-N
XLogP2.92
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-cyclopropyl-5-methyl-6-pyrrolidin-1-ylpyrimidine?
The IUPAC name of 4-chloro-2-cyclopropyl-5-methyl-6-pyrrolidin-1-ylpyrimidine (CID 80971319) is 4-chloro-2-cyclopropyl-5-methyl-6-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 4-chloro-2-cyclopropyl-5-methyl-6-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for 4-chloro-2-cyclopropyl-5-methyl-6-pyrrolidin-1-ylpyrimidine is Cc1c(Cl)nc(C2CC2)nc1N1CCCC1.
What is the InChIKey of 4-chloro-2-cyclopropyl-5-methyl-6-pyrrolidin-1-ylpyrimidine?
The InChIKey is WUHRMMZRCUTFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3/c1-8-10(13)14-11(9-4-5-9)15-12(8)16-6-2-3-7-16/h9H,2-7H2,1H3.
What are the key properties of 4-chloro-2-cyclopropyl-5-methyl-6-pyrrolidin-1-ylpyrimidine?
4-chloro-2-cyclopropyl-5-methyl-6-pyrrolidin-1-ylpyrimidine has a molecular weight of 237.73 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-cyclopropyl-5-methyl-6-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 80971319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).