4-chloro-6-(2-cyclopentylpyrrolidin-1-yl)pyrimidine-5-carbaldehyde

C14H18ClN3O — CID 66366920

IUPAC4-chloro-6-(2-cyclopentylpyrrolidin-1-yl)pyrimidine-5-carbaldehyde
SMILESO=Cc1c(Cl)ncnc1N1CCCC1C1CCCC1
InChIInChI=1S/C14H18ClN3O/c15-13-11(8-19)14(17-9-16-13)18-7-3-6-12(18)10-4-1-2-5-10/h8-10,12H,1-7H2
InChIKeyIXQLMQXHNYZJIK-UHFFFAOYSA-N
MW279.77 g/mol
LogP3.10
Rot. Bonds3

About 4-chloro-6-(2-cyclopentylpyrrolidin-1-yl)pyrimidine-5-carbaldehyde

4-chloro-6-(2-cyclopentylpyrrolidin-1-yl)pyrimidine-5-carbaldehyde (PubChem CID 66366920) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is 4-chloro-6-(2-cyclopentylpyrrolidin-1-yl)pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-6-(2-cyclopentylpyrrolidin-1-yl)pyrimidine-5-carbaldehyde
PubChem CID66366920
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name4-chloro-6-(2-cyclopentylpyrrolidin-1-yl)pyrimidine-5-carbaldehyde
SMILESO=Cc1c(Cl)ncnc1N1CCCC1C1CCCC1
InChIInChI=1S/C14H18ClN3O/c15-13-11(8-19)14(17-9-16-13)18-7-3-6-12(18)10-4-1-2-5-10/h8-10,12H,1-7H2
InChIKeyIXQLMQXHNYZJIK-UHFFFAOYSA-N
XLogP3.10
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2-cyclopentylpyrrolidin-1-yl)pyrimidine-5-carbaldehyde?
The IUPAC name of 4-chloro-6-(2-cyclopentylpyrrolidin-1-yl)pyrimidine-5-carbaldehyde (CID 66366920) is 4-chloro-6-(2-cyclopentylpyrrolidin-1-yl)pyrimidine-5-carbaldehyde.
What is the SMILES notation for 4-chloro-6-(2-cyclopentylpyrrolidin-1-yl)pyrimidine-5-carbaldehyde?
The canonical SMILES for 4-chloro-6-(2-cyclopentylpyrrolidin-1-yl)pyrimidine-5-carbaldehyde is O=Cc1c(Cl)ncnc1N1CCCC1C1CCCC1.
What is the InChIKey of 4-chloro-6-(2-cyclopentylpyrrolidin-1-yl)pyrimidine-5-carbaldehyde?
The InChIKey is IXQLMQXHNYZJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c15-13-11(8-19)14(17-9-16-13)18-7-3-6-12(18)10-4-1-2-5-10/h8-10,12H,1-7H2.
What are the key properties of 4-chloro-6-(2-cyclopentylpyrrolidin-1-yl)pyrimidine-5-carbaldehyde?
4-chloro-6-(2-cyclopentylpyrrolidin-1-yl)pyrimidine-5-carbaldehyde has a molecular weight of 279.77 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2-cyclopentylpyrrolidin-1-yl)pyrimidine-5-carbaldehyde is sourced from PubChem (CID 66366920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).