2-chloro-4-[(2R)-2-(2-methylpropyl)pyrrolidin-1-yl]pyrimidine

C12H18ClN3 — CID 141444822

IUPAC2-chloro-4-[(2R)-2-(2-methylpropyl)pyrrolidin-1-yl]pyrimidine
SMILESCC(C)C[C@H]1CCCN1c1ccnc(Cl)n1
InChIInChI=1S/C12H18ClN3/c1-9(2)8-10-4-3-7-16(10)11-5-6-14-12(13)15-11/h5-6,9-10H,3-4,7-8H2,1-2H3/t10-/m1/s1
InChIKeyCTWCJOZBESAOTB-SNVBAGLBSA-N
MW239.75 g/mol
LogP3.14
Rot. Bonds3

About 2-chloro-4-[(2R)-2-(2-methylpropyl)pyrrolidin-1-yl]pyrimidine

2-chloro-4-[(2R)-2-(2-methylpropyl)pyrrolidin-1-yl]pyrimidine (PubChem CID 141444822) has the molecular formula C12H18ClN3 and a molecular weight of 239.75 g/mol. Its IUPAC name is 2-chloro-4-[(2R)-2-(2-methylpropyl)pyrrolidin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-chloro-4-[(2R)-2-(2-methylpropyl)pyrrolidin-1-yl]pyrimidine
PubChem CID141444822
Molecular FormulaC12H18ClN3
Molecular Weight239.75 g/mol
Exact Mass239.12
IUPAC Name2-chloro-4-[(2R)-2-(2-methylpropyl)pyrrolidin-1-yl]pyrimidine
SMILESCC(C)C[C@H]1CCCN1c1ccnc(Cl)n1
InChIInChI=1S/C12H18ClN3/c1-9(2)8-10-4-3-7-16(10)11-5-6-14-12(13)15-11/h5-6,9-10H,3-4,7-8H2,1-2H3/t10-/m1/s1
InChIKeyCTWCJOZBESAOTB-SNVBAGLBSA-N
XLogP3.14
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(2R)-2-(2-methylpropyl)pyrrolidin-1-yl]pyrimidine?
The IUPAC name of 2-chloro-4-[(2R)-2-(2-methylpropyl)pyrrolidin-1-yl]pyrimidine (CID 141444822) is 2-chloro-4-[(2R)-2-(2-methylpropyl)pyrrolidin-1-yl]pyrimidine.
What is the SMILES notation for 2-chloro-4-[(2R)-2-(2-methylpropyl)pyrrolidin-1-yl]pyrimidine?
The canonical SMILES for 2-chloro-4-[(2R)-2-(2-methylpropyl)pyrrolidin-1-yl]pyrimidine is CC(C)C[C@H]1CCCN1c1ccnc(Cl)n1.
What is the InChIKey of 2-chloro-4-[(2R)-2-(2-methylpropyl)pyrrolidin-1-yl]pyrimidine?
The InChIKey is CTWCJOZBESAOTB-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H18ClN3/c1-9(2)8-10-4-3-7-16(10)11-5-6-14-12(13)15-11/h5-6,9-10H,3-4,7-8H2,1-2H3/t10-/m1/s1.
What are the key properties of 2-chloro-4-[(2R)-2-(2-methylpropyl)pyrrolidin-1-yl]pyrimidine?
2-chloro-4-[(2R)-2-(2-methylpropyl)pyrrolidin-1-yl]pyrimidine has a molecular weight of 239.75 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(2R)-2-(2-methylpropyl)pyrrolidin-1-yl]pyrimidine is sourced from PubChem (CID 141444822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).