6-chloro-4-N,4-N,7-N,7-N-tetramethyl-2-piperazin-1-ylpteridine-4,7-diamine

C14H21ClN8 — CID 3024653

IUPAC6-chloro-4-N,4-N,7-N,7-N-tetramethyl-2-piperazin-1-ylpteridine-4,7-diamine
SMILESCN(C)c1nc2nc(N3CCNCC3)nc(N(C)C)c2nc1Cl
InChIInChI=1S/C14H21ClN8/c1-21(2)12-9-11(18-13(22(3)4)10(15)17-9)19-14(20-12)23-7-5-16-6-8-23/h16H,5-8H2,1-4H3
InChIKeyKBWMIUUWZNOXTB-UHFFFAOYSA-N
MW336.83 g/mol
LogP0.61
Rot. Bonds3

About 6-chloro-4-N,4-N,7-N,7-N-tetramethyl-2-piperazin-1-ylpteridine-4,7-diamine

6-chloro-4-N,4-N,7-N,7-N-tetramethyl-2-piperazin-1-ylpteridine-4,7-diamine (PubChem CID 3024653) has the molecular formula C14H21ClN8 and a molecular weight of 336.83 g/mol. Its IUPAC name is 6-chloro-4-N,4-N,7-N,7-N-tetramethyl-2-piperazin-1-ylpteridine-4,7-diamine.

Molecular Properties

Compound Name6-chloro-4-N,4-N,7-N,7-N-tetramethyl-2-piperazin-1-ylpteridine-4,7-diamine
PubChem CID3024653
Molecular FormulaC14H21ClN8
Molecular Weight336.83 g/mol
Exact Mass336.16
IUPAC Name6-chloro-4-N,4-N,7-N,7-N-tetramethyl-2-piperazin-1-ylpteridine-4,7-diamine
SMILESCN(C)c1nc2nc(N3CCNCC3)nc(N(C)C)c2nc1Cl
InChIInChI=1S/C14H21ClN8/c1-21(2)12-9-11(18-13(22(3)4)10(15)17-9)19-14(20-12)23-7-5-16-6-8-23/h16H,5-8H2,1-4H3
InChIKeyKBWMIUUWZNOXTB-UHFFFAOYSA-N
XLogP0.61
TPSA73.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.83
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N,4-N,7-N,7-N-tetramethyl-2-piperazin-1-ylpteridine-4,7-diamine?
The IUPAC name of 6-chloro-4-N,4-N,7-N,7-N-tetramethyl-2-piperazin-1-ylpteridine-4,7-diamine (CID 3024653) is 6-chloro-4-N,4-N,7-N,7-N-tetramethyl-2-piperazin-1-ylpteridine-4,7-diamine.
What is the SMILES notation for 6-chloro-4-N,4-N,7-N,7-N-tetramethyl-2-piperazin-1-ylpteridine-4,7-diamine?
The canonical SMILES for 6-chloro-4-N,4-N,7-N,7-N-tetramethyl-2-piperazin-1-ylpteridine-4,7-diamine is CN(C)c1nc2nc(N3CCNCC3)nc(N(C)C)c2nc1Cl.
What is the InChIKey of 6-chloro-4-N,4-N,7-N,7-N-tetramethyl-2-piperazin-1-ylpteridine-4,7-diamine?
The InChIKey is KBWMIUUWZNOXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN8/c1-21(2)12-9-11(18-13(22(3)4)10(15)17-9)19-14(20-12)23-7-5-16-6-8-23/h16H,5-8H2,1-4H3.
What are the key properties of 6-chloro-4-N,4-N,7-N,7-N-tetramethyl-2-piperazin-1-ylpteridine-4,7-diamine?
6-chloro-4-N,4-N,7-N,7-N-tetramethyl-2-piperazin-1-ylpteridine-4,7-diamine has a molecular weight of 336.83 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N,4-N,7-N,7-N-tetramethyl-2-piperazin-1-ylpteridine-4,7-diamine is sourced from PubChem (CID 3024653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).