6-N-methyl-4-(4-methylpiperazin-1-yl)-6-N-propan-2-ylpyridine-2,6-diamine

C14H25N5 — CID 54581937

IUPAC6-N-methyl-4-(4-methylpiperazin-1-yl)-6-N-propan-2-ylpyridine-2,6-diamine
SMILESCC(C)N(C)c1cc(N2CCN(C)CC2)cc(N)n1
InChIInChI=1S/C14H25N5/c1-11(2)18(4)14-10-12(9-13(15)16-14)19-7-5-17(3)6-8-19/h9-11H,5-8H2,1-4H3,(H2,15,16)
InChIKeyOCWNZRZQIIWTCT-UHFFFAOYSA-N
MW263.39 g/mol
LogP1.26
Rot. Bonds3

About 6-N-methyl-4-(4-methylpiperazin-1-yl)-6-N-propan-2-ylpyridine-2,6-diamine

6-N-methyl-4-(4-methylpiperazin-1-yl)-6-N-propan-2-ylpyridine-2,6-diamine (PubChem CID 54581937) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is 6-N-methyl-4-(4-methylpiperazin-1-yl)-6-N-propan-2-ylpyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-methyl-4-(4-methylpiperazin-1-yl)-6-N-propan-2-ylpyridine-2,6-diamine
PubChem CID54581937
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name6-N-methyl-4-(4-methylpiperazin-1-yl)-6-N-propan-2-ylpyridine-2,6-diamine
SMILESCC(C)N(C)c1cc(N2CCN(C)CC2)cc(N)n1
InChIInChI=1S/C14H25N5/c1-11(2)18(4)14-10-12(9-13(15)16-14)19-7-5-17(3)6-8-19/h9-11H,5-8H2,1-4H3,(H2,15,16)
InChIKeyOCWNZRZQIIWTCT-UHFFFAOYSA-N
XLogP1.26
TPSA48.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-4-(4-methylpiperazin-1-yl)-6-N-propan-2-ylpyridine-2,6-diamine?
The IUPAC name of 6-N-methyl-4-(4-methylpiperazin-1-yl)-6-N-propan-2-ylpyridine-2,6-diamine (CID 54581937) is 6-N-methyl-4-(4-methylpiperazin-1-yl)-6-N-propan-2-ylpyridine-2,6-diamine.
What is the SMILES notation for 6-N-methyl-4-(4-methylpiperazin-1-yl)-6-N-propan-2-ylpyridine-2,6-diamine?
The canonical SMILES for 6-N-methyl-4-(4-methylpiperazin-1-yl)-6-N-propan-2-ylpyridine-2,6-diamine is CC(C)N(C)c1cc(N2CCN(C)CC2)cc(N)n1.
What is the InChIKey of 6-N-methyl-4-(4-methylpiperazin-1-yl)-6-N-propan-2-ylpyridine-2,6-diamine?
The InChIKey is OCWNZRZQIIWTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-11(2)18(4)14-10-12(9-13(15)16-14)19-7-5-17(3)6-8-19/h9-11H,5-8H2,1-4H3,(H2,15,16).
What are the key properties of 6-N-methyl-4-(4-methylpiperazin-1-yl)-6-N-propan-2-ylpyridine-2,6-diamine?
6-N-methyl-4-(4-methylpiperazin-1-yl)-6-N-propan-2-ylpyridine-2,6-diamine has a molecular weight of 263.39 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-4-(4-methylpiperazin-1-yl)-6-N-propan-2-ylpyridine-2,6-diamine is sourced from PubChem (CID 54581937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).