2-N,2-N,5,6-tetramethyl-4-N-[3-(2H-tetrazol-5-yl)propyl]pyrimidine-2,4-diamine

C12H20N8 — CID 50983254

IUPAC2-N,2-N,5,6-tetramethyl-4-N-[3-(2H-tetrazol-5-yl)propyl]pyrimidine-2,4-diamine
SMILESCc1nc(N(C)C)nc(NCCCc2nn[nH]n2)c1C
InChIInChI=1S/C12H20N8/c1-8-9(2)14-12(20(3)4)15-11(8)13-7-5-6-10-16-18-19-17-10/h5-7H2,1-4H3,(H,13,14,15)(H,16,17,18,19)
InChIKeyJAFGVTMLYSIBLG-UHFFFAOYSA-N
MW276.35 g/mol
LogP0.72
Rot. Bonds6

About 2-N,2-N,5,6-tetramethyl-4-N-[3-(2H-tetrazol-5-yl)propyl]pyrimidine-2,4-diamine

2-N,2-N,5,6-tetramethyl-4-N-[3-(2H-tetrazol-5-yl)propyl]pyrimidine-2,4-diamine (PubChem CID 50983254) has the molecular formula C12H20N8 and a molecular weight of 276.35 g/mol. Its IUPAC name is 2-N,2-N,5,6-tetramethyl-4-N-[3-(2H-tetrazol-5-yl)propyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N,5,6-tetramethyl-4-N-[3-(2H-tetrazol-5-yl)propyl]pyrimidine-2,4-diamine
PubChem CID50983254
Molecular FormulaC12H20N8
Molecular Weight276.35 g/mol
Exact Mass276.18
IUPAC Name2-N,2-N,5,6-tetramethyl-4-N-[3-(2H-tetrazol-5-yl)propyl]pyrimidine-2,4-diamine
SMILESCc1nc(N(C)C)nc(NCCCc2nn[nH]n2)c1C
InChIInChI=1S/C12H20N8/c1-8-9(2)14-12(20(3)4)15-11(8)13-7-5-6-10-16-18-19-17-10/h5-7H2,1-4H3,(H,13,14,15)(H,16,17,18,19)
InChIKeyJAFGVTMLYSIBLG-UHFFFAOYSA-N
XLogP0.72
TPSA95.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-N,2-N,5,6-tetramethyl-4-N-[3-(2H-tetrazol-5-yl)propyl]pyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,5,6-tetramethyl-4-N-[3-(2H-tetrazol-5-yl)propyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N,2-N,5,6-tetramethyl-4-N-[3-(2H-tetrazol-5-yl)propyl]pyrimidine-2,4-diamine (CID 50983254) is 2-N,2-N,5,6-tetramethyl-4-N-[3-(2H-tetrazol-5-yl)propyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,2-N,5,6-tetramethyl-4-N-[3-(2H-tetrazol-5-yl)propyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,2-N,5,6-tetramethyl-4-N-[3-(2H-tetrazol-5-yl)propyl]pyrimidine-2,4-diamine is Cc1nc(N(C)C)nc(NCCCc2nn[nH]n2)c1C.
What is the InChIKey of 2-N,2-N,5,6-tetramethyl-4-N-[3-(2H-tetrazol-5-yl)propyl]pyrimidine-2,4-diamine?
The InChIKey is JAFGVTMLYSIBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N8/c1-8-9(2)14-12(20(3)4)15-11(8)13-7-5-6-10-16-18-19-17-10/h5-7H2,1-4H3,(H,13,14,15)(H,16,17,18,19).
What are the key properties of 2-N,2-N,5,6-tetramethyl-4-N-[3-(2H-tetrazol-5-yl)propyl]pyrimidine-2,4-diamine?
2-N,2-N,5,6-tetramethyl-4-N-[3-(2H-tetrazol-5-yl)propyl]pyrimidine-2,4-diamine has a molecular weight of 276.35 g/mol, XLogP of 0.72, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,5,6-tetramethyl-4-N-[3-(2H-tetrazol-5-yl)propyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 50983254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).