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

C10H12ClN3O — CID 80732052

IUPAC4-chloro-2-methyl-6-pyrrolidin-1-ylpyrimidine-5-carbaldehyde
SMILESCc1nc(Cl)c(C=O)c(N2CCCC2)n1
InChIInChI=1S/C10H12ClN3O/c1-7-12-9(11)8(6-15)10(13-7)14-4-2-3-5-14/h6H,2-5H2,1H3
InChIKeyOJRRQWHUZXFFTP-UHFFFAOYSA-N
MW225.68 g/mol
LogP1.85
Rot. Bonds2

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

4-chloro-2-methyl-6-pyrrolidin-1-ylpyrimidine-5-carbaldehyde (PubChem CID 80732052) has the molecular formula C10H12ClN3O and a molecular weight of 225.68 g/mol. Its IUPAC name is 4-chloro-2-methyl-6-pyrrolidin-1-ylpyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-2-methyl-6-pyrrolidin-1-ylpyrimidine-5-carbaldehyde
PubChem CID80732052
Molecular FormulaC10H12ClN3O
Molecular Weight225.68 g/mol
Exact Mass225.07
IUPAC Name4-chloro-2-methyl-6-pyrrolidin-1-ylpyrimidine-5-carbaldehyde
SMILESCc1nc(Cl)c(C=O)c(N2CCCC2)n1
InChIInChI=1S/C10H12ClN3O/c1-7-12-9(11)8(6-15)10(13-7)14-4-2-3-5-14/h6H,2-5H2,1H3
InChIKeyOJRRQWHUZXFFTP-UHFFFAOYSA-N
XLogP1.85
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-6-(1,1-dioxo-1,4-thiazepan-4-yl)-2-methylpyrimidine-5-carbaldehyde
CID 114083529
4-chloro-6-(3,4-dimethylpyrrolidin-1-yl)-2-methylpyrimidine-5-carbaldehyde
CID 80732678
4-chloro-2-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]pyrimidine-5-carbaldehyde
CID 80733170
4-chloro-2-methyl-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pyrimidine-5-carbaldehyde
CID 114411143
4-chloro-6-(3,4-dimethylpiperazin-1-yl)-2-methylpyrimidine-5-carbaldehyde
CID 80732766
4-chloro-6-(2,2-dimethylmorpholin-4-yl)-2-methylpyrimidine-5-carbaldehyde
CID 80732280
4-chloro-2-methyl-6-(3-propoxypiperidin-1-yl)pyrimidine-5-carbaldehyde
CID 80732072
4-chloro-6-(2-ethylpyrrolidin-1-yl)-2-methylpyrimidine-5-carbaldehyde
CID 80733265
4-chloro-6-(3,3-dimethylmorpholin-4-yl)-2-methylpyrimidine-5-carbaldehyde
CID 80732381
4-chloro-6-(3-ethylmorpholin-4-yl)-2-methylpyrimidine-5-carbaldehyde
CID 80732462
4-(6-chloro-5-formyl-2-methylpyrimidin-4-yl)morpholine-3-carboxamide
CID 83095423
4-chloro-6-(2-ethyl-3-oxopiperazin-1-yl)-2-methylpyrimidine-5-carbaldehyde
CID 80732675

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-6-pyrrolidin-1-ylpyrimidine-5-carbaldehyde?
The IUPAC name of 4-chloro-2-methyl-6-pyrrolidin-1-ylpyrimidine-5-carbaldehyde (CID 80732052) is 4-chloro-2-methyl-6-pyrrolidin-1-ylpyrimidine-5-carbaldehyde.
What is the SMILES notation for 4-chloro-2-methyl-6-pyrrolidin-1-ylpyrimidine-5-carbaldehyde?
The canonical SMILES for 4-chloro-2-methyl-6-pyrrolidin-1-ylpyrimidine-5-carbaldehyde is Cc1nc(Cl)c(C=O)c(N2CCCC2)n1.
What is the InChIKey of 4-chloro-2-methyl-6-pyrrolidin-1-ylpyrimidine-5-carbaldehyde?
The InChIKey is OJRRQWHUZXFFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O/c1-7-12-9(11)8(6-15)10(13-7)14-4-2-3-5-14/h6H,2-5H2,1H3.
What are the key properties of 4-chloro-2-methyl-6-pyrrolidin-1-ylpyrimidine-5-carbaldehyde?
4-chloro-2-methyl-6-pyrrolidin-1-ylpyrimidine-5-carbaldehyde has a molecular weight of 225.68 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-6-pyrrolidin-1-ylpyrimidine-5-carbaldehyde is sourced from PubChem (CID 80732052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).