2,4-dichloro-5-(pyrrolidin-3-yloxymethyl)pyrimidine;hydrochloride

C9H12Cl3N3O — CID 71640385

IUPAC2,4-dichloro-5-(pyrrolidin-3-yloxymethyl)pyrimidine;hydrochloride
SMILESCl.Clc1ncc(COC2CCNC2)c(Cl)n1
InChIInChI=1S/C9H11Cl2N3O.ClH/c10-8-6(3-13-9(11)14-8)5-15-7-1-2-12-4-7;/h3,7,12H,1-2,4-5H2;1H
InChIKeyPXHVNPOCLUTNSZ-UHFFFAOYSA-N
MW284.57 g/mol
LogP2.08
Rot. Bonds3

About 2,4-dichloro-5-(pyrrolidin-3-yloxymethyl)pyrimidine;hydrochloride

2,4-dichloro-5-(pyrrolidin-3-yloxymethyl)pyrimidine;hydrochloride (PubChem CID 71640385) has the molecular formula C9H12Cl3N3O and a molecular weight of 284.57 g/mol. Its IUPAC name is 2,4-dichloro-5-(pyrrolidin-3-yloxymethyl)pyrimidine;hydrochloride.

Molecular Properties

Compound Name2,4-dichloro-5-(pyrrolidin-3-yloxymethyl)pyrimidine;hydrochloride
PubChem CID71640385
Molecular FormulaC9H12Cl3N3O
Molecular Weight284.57 g/mol
Exact Mass283.00
IUPAC Name2,4-dichloro-5-(pyrrolidin-3-yloxymethyl)pyrimidine;hydrochloride
SMILESCl.Clc1ncc(COC2CCNC2)c(Cl)n1
InChIInChI=1S/C9H11Cl2N3O.ClH/c10-8-6(3-13-9(11)14-8)5-15-7-1-2-12-4-7;/h3,7,12H,1-2,4-5H2;1H
InChIKeyPXHVNPOCLUTNSZ-UHFFFAOYSA-N
XLogP2.08
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.57
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dichloro-5-(piperidin-4-yloxymethyl)pyrimidine
CID 71640390
2,4-dichloro-5-(pyrrolidin-3-ylmethoxymethyl)pyrimidine;hydrochloride
CID 71640400
N-[(2,4-dichloropyrimidin-5-yl)methyl]-N-methyl-1-[(3S)-pyrrolidin-3-yl]methanamine
CID 97164652
2,4-dichloro-5-[3-[(3R)-piperidin-3-yl]propoxymethyl]pyrimidine
CID 97163874
2,5-dichloro-4-[(3R)-pyrrolidin-3-yl]oxypyrimidine
CID 118464443
2-[[(3S)-pyrrolidin-3-yl]oxymethyl]pyrazine;hydrochloride
CID 71636912
5-chloro-1-methyl-2-(pyrrolidin-3-yloxymethyl)imidazole
CID 106937675
(3R)-N-[(2,4-dichloropyrimidin-5-yl)methyl]-N-methylpyrrolidin-3-amine
CID 71641701
3-chloro-6-[[(3R)-pyrrolidin-3-yl]oxymethyl]pyridazine;hydrochloride
CID 71640794
3-chloro-2-(pyrrolidin-3-yloxymethyl)-5-(trifluoromethyl)pyridine;hydrochloride
CID 126843079
3-[(2,6-dichlorophenyl)methoxy]pyrrolidine
CID 62328259
3-chloro-6-(pyrrolidin-3-yloxymethyl)pyridazine
CID 71640803

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-(pyrrolidin-3-yloxymethyl)pyrimidine;hydrochloride?
The IUPAC name of 2,4-dichloro-5-(pyrrolidin-3-yloxymethyl)pyrimidine;hydrochloride (CID 71640385) is 2,4-dichloro-5-(pyrrolidin-3-yloxymethyl)pyrimidine;hydrochloride.
What is the SMILES notation for 2,4-dichloro-5-(pyrrolidin-3-yloxymethyl)pyrimidine;hydrochloride?
The canonical SMILES for 2,4-dichloro-5-(pyrrolidin-3-yloxymethyl)pyrimidine;hydrochloride is Cl.Clc1ncc(COC2CCNC2)c(Cl)n1.
What is the InChIKey of 2,4-dichloro-5-(pyrrolidin-3-yloxymethyl)pyrimidine;hydrochloride?
The InChIKey is PXHVNPOCLUTNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2N3O.ClH/c10-8-6(3-13-9(11)14-8)5-15-7-1-2-12-4-7;/h3,7,12H,1-2,4-5H2;1H.
What are the key properties of 2,4-dichloro-5-(pyrrolidin-3-yloxymethyl)pyrimidine;hydrochloride?
2,4-dichloro-5-(pyrrolidin-3-yloxymethyl)pyrimidine;hydrochloride has a molecular weight of 284.57 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-(pyrrolidin-3-yloxymethyl)pyrimidine;hydrochloride is sourced from PubChem (CID 71640385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).