2-chloro-4-[3-(methoxymethyl)pyrrolidin-1-yl]-6-propoxy-1,3,5-triazine

C12H19ClN4O2 — CID 64597022

IUPAC2-chloro-4-[3-(methoxymethyl)pyrrolidin-1-yl]-6-propoxy-1,3,5-triazine
SMILESCCCOc1nc(Cl)nc(N2CCC(COC)C2)n1
InChIInChI=1S/C12H19ClN4O2/c1-3-6-19-12-15-10(13)14-11(16-12)17-5-4-9(7-17)8-18-2/h9H,3-8H2,1-2H3
InChIKeyPDJPBJDDEIOJCW-UHFFFAOYSA-N
MW286.76 g/mol
LogP1.79
Rot. Bonds6

About 2-chloro-4-[3-(methoxymethyl)pyrrolidin-1-yl]-6-propoxy-1,3,5-triazine

2-chloro-4-[3-(methoxymethyl)pyrrolidin-1-yl]-6-propoxy-1,3,5-triazine (PubChem CID 64597022) has the molecular formula C12H19ClN4O2 and a molecular weight of 286.76 g/mol. Its IUPAC name is 2-chloro-4-[3-(methoxymethyl)pyrrolidin-1-yl]-6-propoxy-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-[3-(methoxymethyl)pyrrolidin-1-yl]-6-propoxy-1,3,5-triazine
PubChem CID64597022
Molecular FormulaC12H19ClN4O2
Molecular Weight286.76 g/mol
Exact Mass286.12
IUPAC Name2-chloro-4-[3-(methoxymethyl)pyrrolidin-1-yl]-6-propoxy-1,3,5-triazine
SMILESCCCOc1nc(Cl)nc(N2CCC(COC)C2)n1
InChIInChI=1S/C12H19ClN4O2/c1-3-6-19-12-15-10(13)14-11(16-12)17-5-4-9(7-17)8-18-2/h9H,3-8H2,1-2H3
InChIKeyPDJPBJDDEIOJCW-UHFFFAOYSA-N
XLogP1.79
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)pyrrolidin-3-yl]ethanol
CID 112627067
2-chloro-4-(3-methoxypiperidin-1-yl)-6-propoxy-1,3,5-triazine
CID 102963297
2-[1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)piperidin-3-yl]ethanol
CID 107228423
4-chloro-N,N-diethyl-6-[3-(methoxymethyl)pyrrolidin-1-yl]-1,3,5-triazin-2-amine
CID 64596823
1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)azepane
CID 62869524
4-ethoxy-6-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methyl-1,3,5-triazin-2-amine
CID 80844616
2-chloro-4-ethoxy-6-(3-ethylpiperidin-1-yl)-1,3,5-triazine
CID 62857566
2-chloro-4-(3-methoxy-3-methylpiperidin-1-yl)-6-propoxy-1,3,5-triazine
CID 107394111
2-chloro-4-(2,4-dimethylpiperidin-1-yl)-6-propoxy-1,3,5-triazine
CID 62864691
4-[4-chloro-6-(2-propoxyethoxy)-1,3,5-triazin-2-yl]morpholine
CID 63685639
4,6-dimethyl-2-[3-(propoxymethyl)pyrrolidin-1-yl]pyrimidine
CID 131938332
4-(3-ethylpiperidin-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 80793428

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[3-(methoxymethyl)pyrrolidin-1-yl]-6-propoxy-1,3,5-triazine?
The IUPAC name of 2-chloro-4-[3-(methoxymethyl)pyrrolidin-1-yl]-6-propoxy-1,3,5-triazine (CID 64597022) is 2-chloro-4-[3-(methoxymethyl)pyrrolidin-1-yl]-6-propoxy-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-[3-(methoxymethyl)pyrrolidin-1-yl]-6-propoxy-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-[3-(methoxymethyl)pyrrolidin-1-yl]-6-propoxy-1,3,5-triazine is CCCOc1nc(Cl)nc(N2CCC(COC)C2)n1.
What is the InChIKey of 2-chloro-4-[3-(methoxymethyl)pyrrolidin-1-yl]-6-propoxy-1,3,5-triazine?
The InChIKey is PDJPBJDDEIOJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O2/c1-3-6-19-12-15-10(13)14-11(16-12)17-5-4-9(7-17)8-18-2/h9H,3-8H2,1-2H3.
What are the key properties of 2-chloro-4-[3-(methoxymethyl)pyrrolidin-1-yl]-6-propoxy-1,3,5-triazine?
2-chloro-4-[3-(methoxymethyl)pyrrolidin-1-yl]-6-propoxy-1,3,5-triazine has a molecular weight of 286.76 g/mol, XLogP of 1.79, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[3-(methoxymethyl)pyrrolidin-1-yl]-6-propoxy-1,3,5-triazine is sourced from PubChem (CID 64597022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).