2-[2-(3-chloropropyl)pyrrolidin-1-yl]-4-methyl-6-propan-2-yloxypyrimidine

C15H24ClN3O — CID 115973852

IUPAC2-[2-(3-chloropropyl)pyrrolidin-1-yl]-4-methyl-6-propan-2-yloxypyrimidine
SMILESCc1cc(OC(C)C)nc(N2CCCC2CCCCl)n1
InChIInChI=1S/C15H24ClN3O/c1-11(2)20-14-10-12(3)17-15(18-14)19-9-5-7-13(19)6-4-8-16/h10-11,13H,4-9H2,1-3H3
InChIKeyLROAPWJAGFFANB-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.56
Rot. Bonds6

About 2-[2-(3-chloropropyl)pyrrolidin-1-yl]-4-methyl-6-propan-2-yloxypyrimidine

2-[2-(3-chloropropyl)pyrrolidin-1-yl]-4-methyl-6-propan-2-yloxypyrimidine (PubChem CID 115973852) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is 2-[2-(3-chloropropyl)pyrrolidin-1-yl]-4-methyl-6-propan-2-yloxypyrimidine.

Molecular Properties

Compound Name2-[2-(3-chloropropyl)pyrrolidin-1-yl]-4-methyl-6-propan-2-yloxypyrimidine
PubChem CID115973852
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC Name2-[2-(3-chloropropyl)pyrrolidin-1-yl]-4-methyl-6-propan-2-yloxypyrimidine
SMILESCc1cc(OC(C)C)nc(N2CCCC2CCCCl)n1
InChIInChI=1S/C15H24ClN3O/c1-11(2)20-14-10-12(3)17-15(18-14)19-9-5-7-13(19)6-4-8-16/h10-11,13H,4-9H2,1-3H3
InChIKeyLROAPWJAGFFANB-UHFFFAOYSA-N
XLogP3.56
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(3-chloropropyl)pyrrolidin-1-yl]-4-ethoxy-6-methylpyrimidine
CID 112635563
2-[2-(3-bromopropyl)pyrrolidin-1-yl]-4-ethoxy-6-methylpyrimidine
CID 112635765
2-[2-(2-chloroethyl)piperidin-1-yl]-4-methyl-6-propoxypyrimidine
CID 115973842
2-[2-(chloromethyl)pyrrolidin-1-yl]-4-propan-2-yloxypyrimidine
CID 112639218
2-[2-(3-chloropropyl)pyrrolidin-1-yl]-4,6-dimethoxy-1,3,5-triazine
CID 63390254
[4-methyl-1-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)piperazin-2-yl]methanamine
CID 115973553
2-[2-(2-chloropropyl)piperidin-1-yl]-4-methoxy-6-methylpyrimidine
CID 112748216
[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]methanamine
CID 16643268
3-[2-(3-chloropropyl)pyrrolidin-1-yl]-5,6-dimethyl-1,2,4-triazine
CID 114787780
methyl 1-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)piperidine-2-carboxylate
CID 115973724
[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]methanamine;hydrochloride
CID 71638307
1-[1-(4-methoxy-6-methylpyrimidin-2-yl)pyrrolidin-2-yl]-N-methylmethanamine
CID 112635132

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chloropropyl)pyrrolidin-1-yl]-4-methyl-6-propan-2-yloxypyrimidine?
The IUPAC name of 2-[2-(3-chloropropyl)pyrrolidin-1-yl]-4-methyl-6-propan-2-yloxypyrimidine (CID 115973852) is 2-[2-(3-chloropropyl)pyrrolidin-1-yl]-4-methyl-6-propan-2-yloxypyrimidine.
What is the SMILES notation for 2-[2-(3-chloropropyl)pyrrolidin-1-yl]-4-methyl-6-propan-2-yloxypyrimidine?
The canonical SMILES for 2-[2-(3-chloropropyl)pyrrolidin-1-yl]-4-methyl-6-propan-2-yloxypyrimidine is Cc1cc(OC(C)C)nc(N2CCCC2CCCCl)n1.
What is the InChIKey of 2-[2-(3-chloropropyl)pyrrolidin-1-yl]-4-methyl-6-propan-2-yloxypyrimidine?
The InChIKey is LROAPWJAGFFANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O/c1-11(2)20-14-10-12(3)17-15(18-14)19-9-5-7-13(19)6-4-8-16/h10-11,13H,4-9H2,1-3H3.
What are the key properties of 2-[2-(3-chloropropyl)pyrrolidin-1-yl]-4-methyl-6-propan-2-yloxypyrimidine?
2-[2-(3-chloropropyl)pyrrolidin-1-yl]-4-methyl-6-propan-2-yloxypyrimidine has a molecular weight of 297.83 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chloropropyl)pyrrolidin-1-yl]-4-methyl-6-propan-2-yloxypyrimidine is sourced from PubChem (CID 115973852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).