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

C12H18N6 — CID 80809043

IUPAC6-N-ethyl-4-N-(2-imidazol-1-ylethyl)-5-methylpyrimidine-4,6-diamine
SMILESCCNc1ncnc(NCCn2ccnc2)c1C
InChIInChI=1S/C12H18N6/c1-3-14-11-10(2)12(17-8-16-11)15-5-7-18-6-4-13-9-18/h4,6,8-9H,3,5,7H2,1-2H3,(H2,14,15,16,17)
InChIKeyYAUZJQKMLTWZRO-UHFFFAOYSA-N
MW246.32 g/mol
LogP1.53
Rot. Bonds6

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

6-N-ethyl-4-N-(2-imidazol-1-ylethyl)-5-methylpyrimidine-4,6-diamine (PubChem CID 80809043) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is 6-N-ethyl-4-N-(2-imidazol-1-ylethyl)-5-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-(2-imidazol-1-ylethyl)-5-methylpyrimidine-4,6-diamine
PubChem CID80809043
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC Name6-N-ethyl-4-N-(2-imidazol-1-ylethyl)-5-methylpyrimidine-4,6-diamine
SMILESCCNc1ncnc(NCCn2ccnc2)c1C
InChIInChI=1S/C12H18N6/c1-3-14-11-10(2)12(17-8-16-11)15-5-7-18-6-4-13-9-18/h4,6,8-9H,3,5,7H2,1-2H3,(H2,14,15,16,17)
InChIKeyYAUZJQKMLTWZRO-UHFFFAOYSA-N
XLogP1.53
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(2-imidazol-1-ylethyl)-5-methylpyrimidine-4,6-diamine
CID 80808824
5-ethyl-4-N-(2-imidazol-1-ylethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80809603
4-N-(2-imidazol-1-ylethyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80809242
4-N-(2-imidazol-1-ylethyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80809045
4-N-(2-imidazol-1-ylethyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80809433
4-N,6-N-bis(3-imidazol-1-ylpropyl)pyrimidine-4,5,6-triamine
CID 19154189
6-N-ethyl-4-N-(3-imidazol-1-ylpropyl)pyrimidine-4,6-diamine
CID 80753525
6-N-hexadecyl-4-N-(3-imidazol-1-ylpropyl)pyrimidine-4,5,6-triamine
CID 19142491
2-N-(2-imidazol-1-ylethyl)-5-methylpyridine-2,3-diamine
CID 66280404
1-ethyl-N-(3-imidazol-1-ylpropyl)-3-methylpyrazolo[4,5-d]pyrimidin-7-amine
CID 56730368
N-(3-imidazol-1-ylpropyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 110431937
4-N-(2-imidazol-1-ylethyl)-2-N,2-N,5,6-tetramethylpyrimidine-2,4-diamine
CID 39755706

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-(2-imidazol-1-ylethyl)-5-methylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-4-N-(2-imidazol-1-ylethyl)-5-methylpyrimidine-4,6-diamine (CID 80809043) is 6-N-ethyl-4-N-(2-imidazol-1-ylethyl)-5-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-4-N-(2-imidazol-1-ylethyl)-5-methylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-4-N-(2-imidazol-1-ylethyl)-5-methylpyrimidine-4,6-diamine is CCNc1ncnc(NCCn2ccnc2)c1C.
What is the InChIKey of 6-N-ethyl-4-N-(2-imidazol-1-ylethyl)-5-methylpyrimidine-4,6-diamine?
The InChIKey is YAUZJQKMLTWZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6/c1-3-14-11-10(2)12(17-8-16-11)15-5-7-18-6-4-13-9-18/h4,6,8-9H,3,5,7H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 6-N-ethyl-4-N-(2-imidazol-1-ylethyl)-5-methylpyrimidine-4,6-diamine?
6-N-ethyl-4-N-(2-imidazol-1-ylethyl)-5-methylpyrimidine-4,6-diamine has a molecular weight of 246.32 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N-(2-imidazol-1-ylethyl)-5-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80809043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).