2-chloro-4-methyl-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrimidine

C12H18ClN3O — CID 62477621

IUPAC2-chloro-4-methyl-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrimidine
SMILESCc1cc(OCCC2CCCN2C)nc(Cl)n1
InChIInChI=1S/C12H18ClN3O/c1-9-8-11(15-12(13)14-9)17-7-5-10-4-3-6-16(10)2/h8,10H,3-7H2,1-2H3
InChIKeyZURDMDQMCRKQQK-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.30
Rot. Bonds4

About 2-chloro-4-methyl-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrimidine

2-chloro-4-methyl-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrimidine (PubChem CID 62477621) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 2-chloro-4-methyl-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrimidine.

Molecular Properties

Compound Name2-chloro-4-methyl-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrimidine
PubChem CID62477621
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name2-chloro-4-methyl-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrimidine
SMILESCc1cc(OCCC2CCCN2C)nc(Cl)n1
InChIInChI=1S/C12H18ClN3O/c1-9-8-11(15-12(13)14-9)17-7-5-10-4-3-6-16(10)2/h8,10H,3-7H2,1-2H3
InChIKeyZURDMDQMCRKQQK-UHFFFAOYSA-N
XLogP2.30
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-methyl-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrimidin-2-amine
CID 80871209
2-chloro-4-(2-cyclobutylethoxy)-6-methylpyrimidine
CID 106201441
tert-butyl 2-[2-(2-chloro-6-methylpyrimidin-4-yl)oxyethyl]piperidine-1-carboxylate
CID 71634410
3,6-dichloro-5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1,2,4-triazine
CID 81035469
2-ethyl-N-methyl-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrimidin-4-amine
CID 80942065
4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566419
6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrazin-2-amine
CID 80648161
2-cyclopropyl-N-ethyl-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrimidin-4-amine
CID 80965957
N,2-diethyl-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrimidin-4-amine
CID 80941958
3-(chloromethyl)-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridazine
CID 61269546
2-chloro-4-methyl-6-(3-piperidin-2-ylpropoxy)pyrimidine;hydrochloride
CID 71638609
4-chloro-6-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrimidine-2-carboxylic acid
CID 168910704

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrimidine?
The IUPAC name of 2-chloro-4-methyl-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrimidine (CID 62477621) is 2-chloro-4-methyl-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrimidine.
What is the SMILES notation for 2-chloro-4-methyl-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrimidine?
The canonical SMILES for 2-chloro-4-methyl-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrimidine is Cc1cc(OCCC2CCCN2C)nc(Cl)n1.
What is the InChIKey of 2-chloro-4-methyl-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrimidine?
The InChIKey is ZURDMDQMCRKQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-9-8-11(15-12(13)14-9)17-7-5-10-4-3-6-16(10)2/h8,10H,3-7H2,1-2H3.
What are the key properties of 2-chloro-4-methyl-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrimidine?
2-chloro-4-methyl-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrimidine has a molecular weight of 255.75 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrimidine is sourced from PubChem (CID 62477621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).