4-N-[2-(1H-imidazol-5-yl)ethyl]-2-N,2-N,5,6-tetramethylpyrimidine-2,4-diamine

C13H20N6 — CID 50971148

IUPAC4-N-[2-(1H-imidazol-5-yl)ethyl]-2-N,2-N,5,6-tetramethylpyrimidine-2,4-diamine
SMILESCc1nc(N(C)C)nc(NCCc2cnc[nH]2)c1C
InChIInChI=1S/C13H20N6/c1-9-10(2)17-13(19(3)4)18-12(9)15-6-5-11-7-14-8-16-11/h7-8H,5-6H2,1-4H3,(H,14,16)(H,15,17,18)
InChIKeyKADUELUWHSGDNL-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.54
Rot. Bonds5

About 4-N-[2-(1H-imidazol-5-yl)ethyl]-2-N,2-N,5,6-tetramethylpyrimidine-2,4-diamine

4-N-[2-(1H-imidazol-5-yl)ethyl]-2-N,2-N,5,6-tetramethylpyrimidine-2,4-diamine (PubChem CID 50971148) has the molecular formula C13H20N6 and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-N-[2-(1H-imidazol-5-yl)ethyl]-2-N,2-N,5,6-tetramethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-(1H-imidazol-5-yl)ethyl]-2-N,2-N,5,6-tetramethylpyrimidine-2,4-diamine
PubChem CID50971148
Molecular FormulaC13H20N6
Molecular Weight260.34 g/mol
Exact Mass260.17
IUPAC Name4-N-[2-(1H-imidazol-5-yl)ethyl]-2-N,2-N,5,6-tetramethylpyrimidine-2,4-diamine
SMILESCc1nc(N(C)C)nc(NCCc2cnc[nH]2)c1C
InChIInChI=1S/C13H20N6/c1-9-10(2)17-13(19(3)4)18-12(9)15-6-5-11-7-14-8-16-11/h7-8H,5-6H2,1-4H3,(H,14,16)(H,15,17,18)
InChIKeyKADUELUWHSGDNL-UHFFFAOYSA-N
XLogP1.54
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(1H-imidazol-5-yl)ethyl]-2-N,2-N,5,6-tetramethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[2-(1H-imidazol-5-yl)ethyl]-2-N,2-N,5,6-tetramethylpyrimidine-2,4-diamine (CID 50971148) is 4-N-[2-(1H-imidazol-5-yl)ethyl]-2-N,2-N,5,6-tetramethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[2-(1H-imidazol-5-yl)ethyl]-2-N,2-N,5,6-tetramethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[2-(1H-imidazol-5-yl)ethyl]-2-N,2-N,5,6-tetramethylpyrimidine-2,4-diamine is Cc1nc(N(C)C)nc(NCCc2cnc[nH]2)c1C.
What is the InChIKey of 4-N-[2-(1H-imidazol-5-yl)ethyl]-2-N,2-N,5,6-tetramethylpyrimidine-2,4-diamine?
The InChIKey is KADUELUWHSGDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6/c1-9-10(2)17-13(19(3)4)18-12(9)15-6-5-11-7-14-8-16-11/h7-8H,5-6H2,1-4H3,(H,14,16)(H,15,17,18).
What are the key properties of 4-N-[2-(1H-imidazol-5-yl)ethyl]-2-N,2-N,5,6-tetramethylpyrimidine-2,4-diamine?
4-N-[2-(1H-imidazol-5-yl)ethyl]-2-N,2-N,5,6-tetramethylpyrimidine-2,4-diamine has a molecular weight of 260.34 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(1H-imidazol-5-yl)ethyl]-2-N,2-N,5,6-tetramethylpyrimidine-2,4-diamine is sourced from PubChem (CID 50971148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).