4,6-dichloro-2-pyrrolidin-2-ylpyrimidine;hydrochloride

C8H10Cl3N3 — CID 155895891

IUPAC4,6-dichloro-2-pyrrolidin-2-ylpyrimidine;hydrochloride
SMILESCl.Clc1cc(Cl)nc(C2CCCN2)n1
InChIInChI=1S/C8H9Cl2N3.ClH/c9-6-4-7(10)13-8(12-6)5-2-1-3-11-5;/h4-5,11H,1-3H2;1H
InChIKeyWOUBDEWPWIDMFU-UHFFFAOYSA-N
MW254.55 g/mol
LogP2.63
Rot. Bonds1

About 4,6-dichloro-2-pyrrolidin-2-ylpyrimidine;hydrochloride

4,6-dichloro-2-pyrrolidin-2-ylpyrimidine;hydrochloride (PubChem CID 155895891) has the molecular formula C8H10Cl3N3 and a molecular weight of 254.55 g/mol. Its IUPAC name is 4,6-dichloro-2-pyrrolidin-2-ylpyrimidine;hydrochloride.

Molecular Properties

Compound Name4,6-dichloro-2-pyrrolidin-2-ylpyrimidine;hydrochloride
PubChem CID155895891
Molecular FormulaC8H10Cl3N3
Molecular Weight254.55 g/mol
Exact Mass252.99
IUPAC Name4,6-dichloro-2-pyrrolidin-2-ylpyrimidine;hydrochloride
SMILESCl.Clc1cc(Cl)nc(C2CCCN2)n1
InChIInChI=1S/C8H9Cl2N3.ClH/c9-6-4-7(10)13-8(12-6)5-2-1-3-11-5;/h4-5,11H,1-3H2;1H
InChIKeyWOUBDEWPWIDMFU-UHFFFAOYSA-N
XLogP2.63
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.55
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6-piperidin-2-yl-1,3,5-triazin-2-amine
CID 174788663
3-chloro-5-pyrrolidin-2-ylpyridine;dihydrochloride
CID 154733314
4-cyclohexyl-6-methyl-2-pyrrolidin-2-ylpyrimidine
CID 63319069
3-pyrrolidin-2-yl-1,2,4-thiadiazol-5-amine
CID 82412366
2-piperidin-2-yl-4,6-bis(trichloromethyl)-1,3,5-triazine
CID 138679171
2-chloro-5-[(2S)-piperidin-2-yl]pyridine;dihydrochloride
CID 164890613
2-chloro-5-[(2S)-piperidin-2-yl]pyridine;hydrochloride
CID 171194804
5-pyrrolidin-2-yl-2H-tetrazole;hydrochloride
CID 42962676
5-chloro-2-pyrrolidin-2-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 84750927
5-(2,6-dichlorophenyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 55204134
4-methyl-6-(2-methylphenyl)-2-pyrrolidin-2-ylpyrimidine
CID 116893348
2-(4-chloro-2-fluorophenyl)pyrrolidine;hydrochloride
CID 170920629

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-pyrrolidin-2-ylpyrimidine;hydrochloride?
The IUPAC name of 4,6-dichloro-2-pyrrolidin-2-ylpyrimidine;hydrochloride (CID 155895891) is 4,6-dichloro-2-pyrrolidin-2-ylpyrimidine;hydrochloride.
What is the SMILES notation for 4,6-dichloro-2-pyrrolidin-2-ylpyrimidine;hydrochloride?
The canonical SMILES for 4,6-dichloro-2-pyrrolidin-2-ylpyrimidine;hydrochloride is Cl.Clc1cc(Cl)nc(C2CCCN2)n1.
What is the InChIKey of 4,6-dichloro-2-pyrrolidin-2-ylpyrimidine;hydrochloride?
The InChIKey is WOUBDEWPWIDMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2N3.ClH/c9-6-4-7(10)13-8(12-6)5-2-1-3-11-5;/h4-5,11H,1-3H2;1H.
What are the key properties of 4,6-dichloro-2-pyrrolidin-2-ylpyrimidine;hydrochloride?
4,6-dichloro-2-pyrrolidin-2-ylpyrimidine;hydrochloride has a molecular weight of 254.55 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-pyrrolidin-2-ylpyrimidine;hydrochloride is sourced from PubChem (CID 155895891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).