4-N-(2-imidazol-1-ylethyl)-2-N,2-N,5,6-tetramethylpyrimidine-2,4-diamine

C13H20N6 — CID 39755706

IUPAC4-N-(2-imidazol-1-ylethyl)-2-N,2-N,5,6-tetramethylpyrimidine-2,4-diamine
SMILESCc1nc(N(C)C)nc(NCCn2ccnc2)c1C
InChIInChI=1S/C13H20N6/c1-10-11(2)16-13(18(3)4)17-12(10)15-6-8-19-7-5-14-9-19/h5,7,9H,6,8H2,1-4H3,(H,15,16,17)
InChIKeyUQWSLDMMUPORHZ-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.47
Rot. Bonds5

About 4-N-(2-imidazol-1-ylethyl)-2-N,2-N,5,6-tetramethylpyrimidine-2,4-diamine

4-N-(2-imidazol-1-ylethyl)-2-N,2-N,5,6-tetramethylpyrimidine-2,4-diamine (PubChem CID 39755706) has the molecular formula C13H20N6 and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-N-(2-imidazol-1-ylethyl)-2-N,2-N,5,6-tetramethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-imidazol-1-ylethyl)-2-N,2-N,5,6-tetramethylpyrimidine-2,4-diamine
PubChem CID39755706
Molecular FormulaC13H20N6
Molecular Weight260.34 g/mol
Exact Mass260.17
IUPAC Name4-N-(2-imidazol-1-ylethyl)-2-N,2-N,5,6-tetramethylpyrimidine-2,4-diamine
SMILESCc1nc(N(C)C)nc(NCCn2ccnc2)c1C
InChIInChI=1S/C13H20N6/c1-10-11(2)16-13(18(3)4)17-12(10)15-6-8-19-7-5-14-9-19/h5,7,9H,6,8H2,1-4H3,(H,15,16,17)
InChIKeyUQWSLDMMUPORHZ-UHFFFAOYSA-N
XLogP1.47
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(2-imidazol-1-ylethyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80809045
2-cyclopropyl-6-hydrazinyl-N-(2-imidazol-1-ylethyl)-5-methylpyrimidin-4-amine
CID 80995126
6-N-ethyl-4-N-(2-imidazol-1-ylethyl)-5-methylpyrimidine-4,6-diamine
CID 80809043
4-N-(2-imidazol-1-ylethyl)-5-methylpyrimidine-4,6-diamine
CID 80808824
5-bromo-N-(2-imidazol-1-ylethyl)-6-methyl-2-propan-2-ylpyrimidin-4-amine
CID 146145450
2-hydrazinyl-N-(2-imidazol-1-ylethyl)-5-methylpyrimidin-4-amine
CID 80896447
2-N-(2-imidazol-1-ylethyl)-5-methylpyridine-2,3-diamine
CID 66280404
[1-[2-[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]amino]ethyl]piperidin-2-yl]methanol
CID 50965968
N-(2-imidazol-1-ylethyl)-6-methyl-3-nitropyridin-2-amine
CID 81138480
N-(4-imidazol-1-ylbutyl)-3,6-dimethylpyrazin-2-amine
CID 65416898
5-ethyl-4-N-(2-imidazol-1-ylethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80809603
2-(2-imidazol-1-ylethylamino)-N,N-dimethylbenzenesulfonamide
CID 61326146

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-imidazol-1-ylethyl)-2-N,2-N,5,6-tetramethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-imidazol-1-ylethyl)-2-N,2-N,5,6-tetramethylpyrimidine-2,4-diamine (CID 39755706) is 4-N-(2-imidazol-1-ylethyl)-2-N,2-N,5,6-tetramethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-imidazol-1-ylethyl)-2-N,2-N,5,6-tetramethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-imidazol-1-ylethyl)-2-N,2-N,5,6-tetramethylpyrimidine-2,4-diamine is Cc1nc(N(C)C)nc(NCCn2ccnc2)c1C.
What is the InChIKey of 4-N-(2-imidazol-1-ylethyl)-2-N,2-N,5,6-tetramethylpyrimidine-2,4-diamine?
The InChIKey is UQWSLDMMUPORHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6/c1-10-11(2)16-13(18(3)4)17-12(10)15-6-8-19-7-5-14-9-19/h5,7,9H,6,8H2,1-4H3,(H,15,16,17).
What are the key properties of 4-N-(2-imidazol-1-ylethyl)-2-N,2-N,5,6-tetramethylpyrimidine-2,4-diamine?
4-N-(2-imidazol-1-ylethyl)-2-N,2-N,5,6-tetramethylpyrimidine-2,4-diamine has a molecular weight of 260.34 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-imidazol-1-ylethyl)-2-N,2-N,5,6-tetramethylpyrimidine-2,4-diamine is sourced from PubChem (CID 39755706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).