6-N,6-N-dimethyl-4-N-pentan-2-ylpyrido[3,4-d]pyrimidine-4,6-diamine

C14H21N5 — CID 44592519

IUPAC6-N,6-N-dimethyl-4-N-pentan-2-ylpyrido[3,4-d]pyrimidine-4,6-diamine
SMILESCCCC(C)Nc1ncnc2cnc(N(C)C)cc12
InChIInChI=1S/C14H21N5/c1-5-6-10(2)18-14-11-7-13(19(3)4)15-8-12(11)16-9-17-14/h7-10H,5-6H2,1-4H3,(H,16,17,18)
InChIKeyITXSJSUWVPCLHX-UHFFFAOYSA-N
MW259.36 g/mol
LogP2.69
Rot. Bonds5

About 6-N,6-N-dimethyl-4-N-pentan-2-ylpyrido[3,4-d]pyrimidine-4,6-diamine

6-N,6-N-dimethyl-4-N-pentan-2-ylpyrido[3,4-d]pyrimidine-4,6-diamine (PubChem CID 44592519) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 6-N,6-N-dimethyl-4-N-pentan-2-ylpyrido[3,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N,6-N-dimethyl-4-N-pentan-2-ylpyrido[3,4-d]pyrimidine-4,6-diamine
PubChem CID44592519
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name6-N,6-N-dimethyl-4-N-pentan-2-ylpyrido[3,4-d]pyrimidine-4,6-diamine
SMILESCCCC(C)Nc1ncnc2cnc(N(C)C)cc12
InChIInChI=1S/C14H21N5/c1-5-6-10(2)18-14-11-7-13(19(3)4)15-8-12(11)16-9-17-14/h7-10H,5-6H2,1-4H3,(H,16,17,18)
InChIKeyITXSJSUWVPCLHX-UHFFFAOYSA-N
XLogP2.69
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-N,6-N-dimethyl-4-N-pentan-2-ylpyrido[3,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 6-N,6-N-dimethyl-4-N-pentan-2-ylpyrido[3,4-d]pyrimidine-4,6-diamine (CID 44592519) is 6-N,6-N-dimethyl-4-N-pentan-2-ylpyrido[3,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N,6-N-dimethyl-4-N-pentan-2-ylpyrido[3,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N,6-N-dimethyl-4-N-pentan-2-ylpyrido[3,4-d]pyrimidine-4,6-diamine is CCCC(C)Nc1ncnc2cnc(N(C)C)cc12.
What is the InChIKey of 6-N,6-N-dimethyl-4-N-pentan-2-ylpyrido[3,4-d]pyrimidine-4,6-diamine?
The InChIKey is ITXSJSUWVPCLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-5-6-10(2)18-14-11-7-13(19(3)4)15-8-12(11)16-9-17-14/h7-10H,5-6H2,1-4H3,(H,16,17,18).
What are the key properties of 6-N,6-N-dimethyl-4-N-pentan-2-ylpyrido[3,4-d]pyrimidine-4,6-diamine?
6-N,6-N-dimethyl-4-N-pentan-2-ylpyrido[3,4-d]pyrimidine-4,6-diamine has a molecular weight of 259.36 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,6-N-dimethyl-4-N-pentan-2-ylpyrido[3,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 44592519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).