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

C10H14Cl3N3O — CID 71640400

IUPAC2,4-dichloro-5-(pyrrolidin-3-ylmethoxymethyl)pyrimidine;hydrochloride
SMILESCl.Clc1ncc(COCC2CCNC2)c(Cl)n1
InChIInChI=1S/C10H13Cl2N3O.ClH/c11-9-8(4-14-10(12)15-9)6-16-5-7-1-2-13-3-7;/h4,7,13H,1-3,5-6H2;1H
InChIKeyAOWXXZCLGNJGEQ-UHFFFAOYSA-N
MW298.60 g/mol
LogP2.33
Rot. Bonds4

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

2,4-dichloro-5-(pyrrolidin-3-ylmethoxymethyl)pyrimidine;hydrochloride (PubChem CID 71640400) has the molecular formula C10H14Cl3N3O and a molecular weight of 298.60 g/mol. Its IUPAC name is 2,4-dichloro-5-(pyrrolidin-3-ylmethoxymethyl)pyrimidine;hydrochloride.

Molecular Properties

Compound Name2,4-dichloro-5-(pyrrolidin-3-ylmethoxymethyl)pyrimidine;hydrochloride
PubChem CID71640400
Molecular FormulaC10H14Cl3N3O
Molecular Weight298.60 g/mol
Exact Mass297.02
IUPAC Name2,4-dichloro-5-(pyrrolidin-3-ylmethoxymethyl)pyrimidine;hydrochloride
SMILESCl.Clc1ncc(COCC2CCNC2)c(Cl)n1
InChIInChI=1S/C10H13Cl2N3O.ClH/c11-9-8(4-14-10(12)15-9)6-16-5-7-1-2-13-3-7;/h4,7,13H,1-3,5-6H2;1H
InChIKeyAOWXXZCLGNJGEQ-UHFFFAOYSA-N
XLogP2.33
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.60
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dichloro-5-(pyrrolidin-3-yloxymethyl)pyrimidine;hydrochloride
CID 71640385
2,4-dichloro-5-[3-[(3R)-piperidin-3-yl]propoxymethyl]pyrimidine
CID 97163874
2,4-dichloro-5-(piperidin-4-yloxymethyl)pyrimidine
CID 71640390
N-[(2,4-dichloropyrimidin-5-yl)methyl]-N-methyl-1-[(3S)-pyrrolidin-3-yl]methanamine
CID 97164652
2-chloro-5-[[(3S)-pyrrolidin-3-yl]methoxymethyl]-1,3-thiazole
CID 97163860
(3R)-3-[(2-chlorophenyl)methoxymethyl]pyrrolidine
CID 86320752
3-[(2-chlorophenyl)methoxymethyl]pyrrolidine
CID 56829907
2-(pyrrolidin-3-ylmethoxymethyl)pyrimidine
CID 62698828
3-[(2-methylphenyl)methoxymethyl]pyrrolidine
CID 56829929
(3R)-3-[(4-methoxyphenyl)methoxymethyl]pyrrolidine
CID 86321821
2-chloro-3-(piperidin-3-ylmethoxymethyl)pyrazine
CID 71640652
(3R)-N-[(2,4-dichloropyrimidin-5-yl)methyl]-N-methylpyrrolidin-3-amine
CID 71641701

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-(pyrrolidin-3-ylmethoxymethyl)pyrimidine;hydrochloride?
The IUPAC name of 2,4-dichloro-5-(pyrrolidin-3-ylmethoxymethyl)pyrimidine;hydrochloride (CID 71640400) is 2,4-dichloro-5-(pyrrolidin-3-ylmethoxymethyl)pyrimidine;hydrochloride.
What is the SMILES notation for 2,4-dichloro-5-(pyrrolidin-3-ylmethoxymethyl)pyrimidine;hydrochloride?
The canonical SMILES for 2,4-dichloro-5-(pyrrolidin-3-ylmethoxymethyl)pyrimidine;hydrochloride is Cl.Clc1ncc(COCC2CCNC2)c(Cl)n1.
What is the InChIKey of 2,4-dichloro-5-(pyrrolidin-3-ylmethoxymethyl)pyrimidine;hydrochloride?
The InChIKey is AOWXXZCLGNJGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2N3O.ClH/c11-9-8(4-14-10(12)15-9)6-16-5-7-1-2-13-3-7;/h4,7,13H,1-3,5-6H2;1H.
What are the key properties of 2,4-dichloro-5-(pyrrolidin-3-ylmethoxymethyl)pyrimidine;hydrochloride?
2,4-dichloro-5-(pyrrolidin-3-ylmethoxymethyl)pyrimidine;hydrochloride has a molecular weight of 298.60 g/mol, XLogP of 2.33, 4 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-ylmethoxymethyl)pyrimidine;hydrochloride is sourced from PubChem (CID 71640400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).