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

C11H18N8 — CID 50973328

IUPAC2-N,2-N,5,6-tetramethyl-4-N-[2-(2H-tetrazol-5-yl)ethyl]pyrimidine-2,4-diamine
SMILESCc1nc(N(C)C)nc(NCCc2nn[nH]n2)c1C
InChIInChI=1S/C11H18N8/c1-7-8(2)13-11(19(3)4)14-10(7)12-6-5-9-15-17-18-16-9/h5-6H2,1-4H3,(H,12,13,14)(H,15,16,17,18)
InChIKeyYLJGALUBTQYBNL-UHFFFAOYSA-N
MW262.32 g/mol
LogP0.33
Rot. Bonds5

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

2-N,2-N,5,6-tetramethyl-4-N-[2-(2H-tetrazol-5-yl)ethyl]pyrimidine-2,4-diamine (PubChem CID 50973328) has the molecular formula C11H18N8 and a molecular weight of 262.32 g/mol. Its IUPAC name is 2-N,2-N,5,6-tetramethyl-4-N-[2-(2H-tetrazol-5-yl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N,5,6-tetramethyl-4-N-[2-(2H-tetrazol-5-yl)ethyl]pyrimidine-2,4-diamine
PubChem CID50973328
Molecular FormulaC11H18N8
Molecular Weight262.32 g/mol
Exact Mass262.17
IUPAC Name2-N,2-N,5,6-tetramethyl-4-N-[2-(2H-tetrazol-5-yl)ethyl]pyrimidine-2,4-diamine
SMILESCc1nc(N(C)C)nc(NCCc2nn[nH]n2)c1C
InChIInChI=1S/C11H18N8/c1-7-8(2)13-11(19(3)4)14-10(7)12-6-5-9-15-17-18-16-9/h5-6H2,1-4H3,(H,12,13,14)(H,15,16,17,18)
InChIKeyYLJGALUBTQYBNL-UHFFFAOYSA-N
XLogP0.33
TPSA95.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,5,6-tetramethyl-4-N-[2-(2H-tetrazol-5-yl)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N,2-N,5,6-tetramethyl-4-N-[2-(2H-tetrazol-5-yl)ethyl]pyrimidine-2,4-diamine (CID 50973328) is 2-N,2-N,5,6-tetramethyl-4-N-[2-(2H-tetrazol-5-yl)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,2-N,5,6-tetramethyl-4-N-[2-(2H-tetrazol-5-yl)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,2-N,5,6-tetramethyl-4-N-[2-(2H-tetrazol-5-yl)ethyl]pyrimidine-2,4-diamine is Cc1nc(N(C)C)nc(NCCc2nn[nH]n2)c1C.
What is the InChIKey of 2-N,2-N,5,6-tetramethyl-4-N-[2-(2H-tetrazol-5-yl)ethyl]pyrimidine-2,4-diamine?
The InChIKey is YLJGALUBTQYBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N8/c1-7-8(2)13-11(19(3)4)14-10(7)12-6-5-9-15-17-18-16-9/h5-6H2,1-4H3,(H,12,13,14)(H,15,16,17,18).
What are the key properties of 2-N,2-N,5,6-tetramethyl-4-N-[2-(2H-tetrazol-5-yl)ethyl]pyrimidine-2,4-diamine?
2-N,2-N,5,6-tetramethyl-4-N-[2-(2H-tetrazol-5-yl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 262.32 g/mol, XLogP of 0.33, 5 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-[2-(2H-tetrazol-5-yl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 50973328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).