4-(chloromethyl)-6-methyl-2-pyrrolidin-1-ylpyrimidine

C10H14ClN3 — CID 62745550

IUPAC4-(chloromethyl)-6-methyl-2-pyrrolidin-1-ylpyrimidine
SMILESCc1cc(CCl)nc(N2CCCC2)n1
InChIInChI=1S/C10H14ClN3/c1-8-6-9(7-11)13-10(12-8)14-4-2-3-5-14/h6H,2-5,7H2,1H3
InChIKeyZIASMYNCEDGNBL-UHFFFAOYSA-N
MW211.70 g/mol
LogP2.12
Rot. Bonds2

About 4-(chloromethyl)-6-methyl-2-pyrrolidin-1-ylpyrimidine

4-(chloromethyl)-6-methyl-2-pyrrolidin-1-ylpyrimidine (PubChem CID 62745550) has the molecular formula C10H14ClN3 and a molecular weight of 211.70 g/mol. Its IUPAC name is 4-(chloromethyl)-6-methyl-2-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name4-(chloromethyl)-6-methyl-2-pyrrolidin-1-ylpyrimidine
PubChem CID62745550
Molecular FormulaC10H14ClN3
Molecular Weight211.70 g/mol
Exact Mass211.09
IUPAC Name4-(chloromethyl)-6-methyl-2-pyrrolidin-1-ylpyrimidine
SMILESCc1cc(CCl)nc(N2CCCC2)n1
InChIInChI=1S/C10H14ClN3/c1-8-6-9(7-11)13-10(12-8)14-4-2-3-5-14/h6H,2-5,7H2,1H3
InChIKeyZIASMYNCEDGNBL-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
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-(azocan-1-yl)-6-methylpyrimidin-4-yl]methanamine
CID 107541533
2-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)ethanamine;hydrochloride
CID 82022940
4-(chloromethyl)-2-(4-ethoxypiperidin-1-yl)-6-methylpyrimidine
CID 114220003
N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]propan-2-amine
CID 55114190
4-(chloromethyl)-6-methyl-2-(3-propoxypiperidin-1-yl)pyrimidine
CID 114220020
1,4-bis(4,6-dimethylpyrimidin-2-yl)-1,4-diazepane
CID 99786904
1-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)butan-2-amine
CID 55114152
N-[[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine
CID 55114380
1-[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]butan-2-amine
CID 62745059
2-(azetidin-1-yl)-4-methyl-6-octylpyrimidine
CID 145141912
[6-methyl-2-(4-methylazepan-1-yl)pyrimidin-4-yl]methanamine
CID 107542020
1-[1-[4-(chloromethyl)-6-methylpyrimidin-2-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 114220038

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-6-methyl-2-pyrrolidin-1-ylpyrimidine?
The IUPAC name of 4-(chloromethyl)-6-methyl-2-pyrrolidin-1-ylpyrimidine (CID 62745550) is 4-(chloromethyl)-6-methyl-2-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 4-(chloromethyl)-6-methyl-2-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for 4-(chloromethyl)-6-methyl-2-pyrrolidin-1-ylpyrimidine is Cc1cc(CCl)nc(N2CCCC2)n1.
What is the InChIKey of 4-(chloromethyl)-6-methyl-2-pyrrolidin-1-ylpyrimidine?
The InChIKey is ZIASMYNCEDGNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3/c1-8-6-9(7-11)13-10(12-8)14-4-2-3-5-14/h6H,2-5,7H2,1H3.
What are the key properties of 4-(chloromethyl)-6-methyl-2-pyrrolidin-1-ylpyrimidine?
4-(chloromethyl)-6-methyl-2-pyrrolidin-1-ylpyrimidine has a molecular weight of 211.70 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-6-methyl-2-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 62745550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).