6-(2-ethylimidazol-1-yl)-4-N-methylpyrimidine-2,4-diamine

C10H14N6 — CID 80857537

IUPAC6-(2-ethylimidazol-1-yl)-4-N-methylpyrimidine-2,4-diamine
SMILESCCc1nccn1-c1cc(NC)nc(N)n1
InChIInChI=1S/C10H14N6/c1-3-8-13-4-5-16(8)9-6-7(12-2)14-10(11)15-9/h4-6H,3H2,1-2H3,(H3,11,12,14,15)
InChIKeyDKYVYQMPXLXWPA-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.85
Rot. Bonds3

About 6-(2-ethylimidazol-1-yl)-4-N-methylpyrimidine-2,4-diamine

6-(2-ethylimidazol-1-yl)-4-N-methylpyrimidine-2,4-diamine (PubChem CID 80857537) has the molecular formula C10H14N6 and a molecular weight of 218.26 g/mol. Its IUPAC name is 6-(2-ethylimidazol-1-yl)-4-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(2-ethylimidazol-1-yl)-4-N-methylpyrimidine-2,4-diamine
PubChem CID80857537
Molecular FormulaC10H14N6
Molecular Weight218.26 g/mol
Exact Mass218.13
IUPAC Name6-(2-ethylimidazol-1-yl)-4-N-methylpyrimidine-2,4-diamine
SMILESCCc1nccn1-c1cc(NC)nc(N)n1
InChIInChI=1S/C10H14N6/c1-3-8-13-4-5-16(8)9-6-7(12-2)14-10(11)15-9/h4-6H,3H2,1-2H3,(H3,11,12,14,15)
InChIKeyDKYVYQMPXLXWPA-UHFFFAOYSA-N
XLogP0.85
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-6-(2-ethylimidazol-1-yl)-2-methylpyrimidin-4-amine
CID 80857445
2-ethyl-6-(2-ethylimidazol-1-yl)pyrimidin-4-amine
CID 80941714
N-methyl-6-(2-propylimidazol-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106773514
6-(2-ethylimidazol-1-yl)pyrimidin-4-amine
CID 80857532
4-(2-ethylimidazol-1-yl)-2,6-dimethylpyrimidine
CID 55238460
4-methoxy-6-(2-propylimidazol-1-yl)pyrimidin-2-amine
CID 114053325
4-N,4-N-diethyl-6-(2-ethylimidazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80857709
[4-(2-ethylimidazol-1-yl)pyrimidin-2-yl]hydrazine
CID 80902349
4-N-ethyl-6-N-methylpyrimidine-2,4,6-triamine
CID 80769889
2-chloro-6-(2-ethylimidazol-1-yl)pyridine-4-carboxylic acid
CID 61402497
1-[6-(2-ethylimidazol-1-yl)pyridazin-3-yl]-N-methylmethanamine
CID 62288123
4-(2-ethylimidazol-1-yl)pyrimidine
CID 63812306

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethylimidazol-1-yl)-4-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 6-(2-ethylimidazol-1-yl)-4-N-methylpyrimidine-2,4-diamine (CID 80857537) is 6-(2-ethylimidazol-1-yl)-4-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-(2-ethylimidazol-1-yl)-4-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 6-(2-ethylimidazol-1-yl)-4-N-methylpyrimidine-2,4-diamine is CCc1nccn1-c1cc(NC)nc(N)n1.
What is the InChIKey of 6-(2-ethylimidazol-1-yl)-4-N-methylpyrimidine-2,4-diamine?
The InChIKey is DKYVYQMPXLXWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6/c1-3-8-13-4-5-16(8)9-6-7(12-2)14-10(11)15-9/h4-6H,3H2,1-2H3,(H3,11,12,14,15).
What are the key properties of 6-(2-ethylimidazol-1-yl)-4-N-methylpyrimidine-2,4-diamine?
6-(2-ethylimidazol-1-yl)-4-N-methylpyrimidine-2,4-diamine has a molecular weight of 218.26 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethylimidazol-1-yl)-4-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 80857537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).