2-N,4-N,4-N,5-tetramethyl-2-N-(quinoxalin-2-ylmethyl)pyrimidine-2,4-diamine

C17H20N6 — CID 50975643

IUPAC2-N,4-N,4-N,5-tetramethyl-2-N-(quinoxalin-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCc1cnc(N(C)Cc2cnc3ccccc3n2)nc1N(C)C
InChIInChI=1S/C17H20N6/c1-12-9-19-17(21-16(12)22(2)3)23(4)11-13-10-18-14-7-5-6-8-15(14)20-13/h5-10H,11H2,1-4H3
InChIKeyWSDQKHDTZVPGQY-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.43
Rot. Bonds4

About 2-N,4-N,4-N,5-tetramethyl-2-N-(quinoxalin-2-ylmethyl)pyrimidine-2,4-diamine

2-N,4-N,4-N,5-tetramethyl-2-N-(quinoxalin-2-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 50975643) has the molecular formula C17H20N6 and a molecular weight of 308.39 g/mol. Its IUPAC name is 2-N,4-N,4-N,5-tetramethyl-2-N-(quinoxalin-2-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N,4-N,5-tetramethyl-2-N-(quinoxalin-2-ylmethyl)pyrimidine-2,4-diamine
PubChem CID50975643
Molecular FormulaC17H20N6
Molecular Weight308.39 g/mol
Exact Mass308.17
IUPAC Name2-N,4-N,4-N,5-tetramethyl-2-N-(quinoxalin-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCc1cnc(N(C)Cc2cnc3ccccc3n2)nc1N(C)C
InChIInChI=1S/C17H20N6/c1-12-9-19-17(21-16(12)22(2)3)23(4)11-13-10-18-14-7-5-6-8-15(14)20-13/h5-10H,11H2,1-4H3
InChIKeyWSDQKHDTZVPGQY-UHFFFAOYSA-N
XLogP2.43
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N,4-N,5-tetramethyl-2-N-(quinoxalin-2-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N,4-N,4-N,5-tetramethyl-2-N-(quinoxalin-2-ylmethyl)pyrimidine-2,4-diamine (CID 50975643) is 2-N,4-N,4-N,5-tetramethyl-2-N-(quinoxalin-2-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,4-N,4-N,5-tetramethyl-2-N-(quinoxalin-2-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,4-N,4-N,5-tetramethyl-2-N-(quinoxalin-2-ylmethyl)pyrimidine-2,4-diamine is Cc1cnc(N(C)Cc2cnc3ccccc3n2)nc1N(C)C.
What is the InChIKey of 2-N,4-N,4-N,5-tetramethyl-2-N-(quinoxalin-2-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is WSDQKHDTZVPGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6/c1-12-9-19-17(21-16(12)22(2)3)23(4)11-13-10-18-14-7-5-6-8-15(14)20-13/h5-10H,11H2,1-4H3.
What are the key properties of 2-N,4-N,4-N,5-tetramethyl-2-N-(quinoxalin-2-ylmethyl)pyrimidine-2,4-diamine?
2-N,4-N,4-N,5-tetramethyl-2-N-(quinoxalin-2-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 308.39 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N,4-N,5-tetramethyl-2-N-(quinoxalin-2-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 50975643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).