2-[3-(chloromethyl)-3-methylpyrrolidin-1-yl]pyrimidine

C10H14ClN3 — CID 130934211

IUPAC2-[3-(chloromethyl)-3-methylpyrrolidin-1-yl]pyrimidine
SMILESCC1(CCl)CCN(c2ncccn2)C1
InChIInChI=1S/C10H14ClN3/c1-10(7-11)3-6-14(8-10)9-12-4-2-5-13-9/h2,4-5H,3,6-8H2,1H3
InChIKeyOJBVZLOIBYCNRG-UHFFFAOYSA-N
MW211.70 g/mol
LogP1.93
Rot. Bonds2

About 2-[3-(chloromethyl)-3-methylpyrrolidin-1-yl]pyrimidine

2-[3-(chloromethyl)-3-methylpyrrolidin-1-yl]pyrimidine (PubChem CID 130934211) has the molecular formula C10H14ClN3 and a molecular weight of 211.70 g/mol. Its IUPAC name is 2-[3-(chloromethyl)-3-methylpyrrolidin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[3-(chloromethyl)-3-methylpyrrolidin-1-yl]pyrimidine
PubChem CID130934211
Molecular FormulaC10H14ClN3
Molecular Weight211.70 g/mol
Exact Mass211.09
IUPAC Name2-[3-(chloromethyl)-3-methylpyrrolidin-1-yl]pyrimidine
SMILESCC1(CCl)CCN(c2ncccn2)C1
InChIInChI=1S/C10H14ClN3/c1-10(7-11)3-6-14(8-10)9-12-4-2-5-13-9/h2,4-5H,3,6-8H2,1H3
InChIKeyOJBVZLOIBYCNRG-UHFFFAOYSA-N
XLogP1.93
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.70
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,8-di(pyrimidin-2-yl)-2,8-diazaspiro[4.5]decane
CID 97369995
2-(3-ethyl-3-methylpyrrolidin-1-yl)-5-iodopyrimidine
CID 131010619
2-methyl-7-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonane
CID 171070249
methyl 3-methyl-1-pyrimidin-2-ylpyrrolidine-3-carboxylate
CID 133362806
1-[1-(5-bromopyrimidin-2-yl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine
CID 106321701
methyl-(7-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)phosphane
CID 171070043
(4S)-3,3-dimethyl-4-(morpholin-4-ylmethyl)-1-pyrimidin-2-ylpiperidin-4-ol
CID 97146942
[1-(3-chloro-2-pyridinyl)-4-methylpiperidin-4-yl]methanamine
CID 107160290
(5S)-2,10-di(pyrimidin-2-yl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97385039
1-[(4-fluorophenyl)methyl]-7-pyrimidin-2-yl-1,7-diazaspiro[3.4]octane
CID 131660553
2-(3-methoxy-3-methylazetidin-1-yl)pyrimidine
CID 126988726
2-pyrimidin-2-yl-2-azaspiro[3.3]heptane
CID 118413240

Frequently Asked Questions

What is the IUPAC name of 2-[3-(chloromethyl)-3-methylpyrrolidin-1-yl]pyrimidine?
The IUPAC name of 2-[3-(chloromethyl)-3-methylpyrrolidin-1-yl]pyrimidine (CID 130934211) is 2-[3-(chloromethyl)-3-methylpyrrolidin-1-yl]pyrimidine.
What is the SMILES notation for 2-[3-(chloromethyl)-3-methylpyrrolidin-1-yl]pyrimidine?
The canonical SMILES for 2-[3-(chloromethyl)-3-methylpyrrolidin-1-yl]pyrimidine is CC1(CCl)CCN(c2ncccn2)C1.
What is the InChIKey of 2-[3-(chloromethyl)-3-methylpyrrolidin-1-yl]pyrimidine?
The InChIKey is OJBVZLOIBYCNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3/c1-10(7-11)3-6-14(8-10)9-12-4-2-5-13-9/h2,4-5H,3,6-8H2,1H3.
What are the key properties of 2-[3-(chloromethyl)-3-methylpyrrolidin-1-yl]pyrimidine?
2-[3-(chloromethyl)-3-methylpyrrolidin-1-yl]pyrimidine has a molecular weight of 211.70 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(chloromethyl)-3-methylpyrrolidin-1-yl]pyrimidine is sourced from PubChem (CID 130934211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).