2-methoxy-4,6-dipyrrolidin-1-yl-1,3,5-triazine

C12H19N5O — CID 4544332

IUPAC2-methoxy-4,6-dipyrrolidin-1-yl-1,3,5-triazine
SMILESCOc1nc(N2CCCC2)nc(N2CCCC2)n1
InChIInChI=1S/C12H19N5O/c1-18-12-14-10(16-6-2-3-7-16)13-11(15-12)17-8-4-5-9-17/h2-9H2,1H3
InChIKeyBLSYUQDJNPOEEI-UHFFFAOYSA-N
MW249.32 g/mol
LogP1.08
Rot. Bonds3

About 2-methoxy-4,6-dipyrrolidin-1-yl-1,3,5-triazine

2-methoxy-4,6-dipyrrolidin-1-yl-1,3,5-triazine (PubChem CID 4544332) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 2-methoxy-4,6-dipyrrolidin-1-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-methoxy-4,6-dipyrrolidin-1-yl-1,3,5-triazine
PubChem CID4544332
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name2-methoxy-4,6-dipyrrolidin-1-yl-1,3,5-triazine
SMILESCOc1nc(N2CCCC2)nc(N2CCCC2)n1
InChIInChI=1S/C12H19N5O/c1-18-12-14-10(16-6-2-3-7-16)13-11(15-12)17-8-4-5-9-17/h2-9H2,1H3
InChIKeyBLSYUQDJNPOEEI-UHFFFAOYSA-N
XLogP1.08
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-Methylhydrazino)-4,6-di(1-pyrrolidinyl)-1,3,5-triazine
CID 677265
(4,6-Dipyrrolidinyl(1,3,5-triazin-2-yl))propylamine
CID 3158873
{[4,6-Di(pyrrolidin-1-yl)-1,3,5-triazin-2-yl]oxy}acetonitrile
CID 4020907
s-Triazine, 2,4-bis(dimethylamino)-6-(1-pyrrolidinyl)-
CID 202886
(4,6-Dipyrrolidinyl(1,3,5-triazin-2-yl))ethylamine
CID 1096073
Triazine, 2-amino-4,6-dipyrrolidino-
CID 204416
2,4,6-Tris(pyrrolidin-1-yl)-1,3,5-triazine
CID 79859
4,6-dimethoxy-N,N-dipropyl-1,3,5-triazin-2-amine
CID 977545
N,N-dipropyl-4,6-di-1-pyrrolidinyl-1,3,5-triazin-2-amine
CID 977729
2-Chloro-4,6-bis(pyrrolidin-1-yl)-1,3,5-triazine
CID 255398
2-Chloro-4-methoxy-6-(pyrrolidin-1-yl)-1,3,5-triazine
CID 713803
N-methyl-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 15371933

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4,6-dipyrrolidin-1-yl-1,3,5-triazine?
The IUPAC name of 2-methoxy-4,6-dipyrrolidin-1-yl-1,3,5-triazine (CID 4544332) is 2-methoxy-4,6-dipyrrolidin-1-yl-1,3,5-triazine.
What is the SMILES notation for 2-methoxy-4,6-dipyrrolidin-1-yl-1,3,5-triazine?
The canonical SMILES for 2-methoxy-4,6-dipyrrolidin-1-yl-1,3,5-triazine is COc1nc(N2CCCC2)nc(N2CCCC2)n1.
What is the InChIKey of 2-methoxy-4,6-dipyrrolidin-1-yl-1,3,5-triazine?
The InChIKey is BLSYUQDJNPOEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-18-12-14-10(16-6-2-3-7-16)13-11(15-12)17-8-4-5-9-17/h2-9H2,1H3.
What are the key properties of 2-methoxy-4,6-dipyrrolidin-1-yl-1,3,5-triazine?
2-methoxy-4,6-dipyrrolidin-1-yl-1,3,5-triazine has a molecular weight of 249.32 g/mol, XLogP of 1.08, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4,6-dipyrrolidin-1-yl-1,3,5-triazine is sourced from PubChem (CID 4544332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).