6-methoxy-4-N-methyl-2-N-piperidin-4-yl-1,3,5-triazine-2,4-diamine

C10H18N6O — CID 58972428

IUPAC6-methoxy-4-N-methyl-2-N-piperidin-4-yl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(NC2CCNCC2)nc(OC)n1
InChIInChI=1S/C10H18N6O/c1-11-8-14-9(16-10(15-8)17-2)13-7-3-5-12-6-4-7/h7,12H,3-6H2,1-2H3,(H2,11,13,14,15,16)
InChIKeyYLSLMEZIWKHGBX-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.09
Rot. Bonds4

About 6-methoxy-4-N-methyl-2-N-piperidin-4-yl-1,3,5-triazine-2,4-diamine

6-methoxy-4-N-methyl-2-N-piperidin-4-yl-1,3,5-triazine-2,4-diamine (PubChem CID 58972428) has the molecular formula C10H18N6O and a molecular weight of 238.29 g/mol. Its IUPAC name is 6-methoxy-4-N-methyl-2-N-piperidin-4-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-methoxy-4-N-methyl-2-N-piperidin-4-yl-1,3,5-triazine-2,4-diamine
PubChem CID58972428
Molecular FormulaC10H18N6O
Molecular Weight238.29 g/mol
Exact Mass238.15
IUPAC Name6-methoxy-4-N-methyl-2-N-piperidin-4-yl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(NC2CCNCC2)nc(OC)n1
InChIInChI=1S/C10H18N6O/c1-11-8-14-9(16-10(15-8)17-2)13-7-3-5-12-6-4-7/h7,12H,3-6H2,1-2H3,(H2,11,13,14,15,16)
InChIKeyYLSLMEZIWKHGBX-UHFFFAOYSA-N
XLogP0.09
TPSA83.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-N-methyl-2-N-piperidin-4-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-methoxy-4-N-methyl-2-N-piperidin-4-yl-1,3,5-triazine-2,4-diamine (CID 58972428) is 6-methoxy-4-N-methyl-2-N-piperidin-4-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-methoxy-4-N-methyl-2-N-piperidin-4-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-methoxy-4-N-methyl-2-N-piperidin-4-yl-1,3,5-triazine-2,4-diamine is CNc1nc(NC2CCNCC2)nc(OC)n1.
What is the InChIKey of 6-methoxy-4-N-methyl-2-N-piperidin-4-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is YLSLMEZIWKHGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6O/c1-11-8-14-9(16-10(15-8)17-2)13-7-3-5-12-6-4-7/h7,12H,3-6H2,1-2H3,(H2,11,13,14,15,16).
What are the key properties of 6-methoxy-4-N-methyl-2-N-piperidin-4-yl-1,3,5-triazine-2,4-diamine?
6-methoxy-4-N-methyl-2-N-piperidin-4-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 238.29 g/mol, XLogP of 0.09, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-N-methyl-2-N-piperidin-4-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 58972428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).