2-ethyl-4-N-(1-methoxypentan-2-yl)-6-N,5-dimethylpyrimidine-4,6-diamine

C14H26N4O — CID 80984500

IUPAC2-ethyl-4-N-(1-methoxypentan-2-yl)-6-N,5-dimethylpyrimidine-4,6-diamine
SMILESCCCC(COC)Nc1nc(CC)nc(NC)c1C
InChIInChI=1S/C14H26N4O/c1-6-8-11(9-19-5)16-14-10(3)13(15-4)17-12(7-2)18-14/h11H,6-9H2,1-5H3,(H2,15,16,17,18)
InChIKeyOBUDAQLOCARBJE-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.62
Rot. Bonds8

About 2-ethyl-4-N-(1-methoxypentan-2-yl)-6-N,5-dimethylpyrimidine-4,6-diamine

2-ethyl-4-N-(1-methoxypentan-2-yl)-6-N,5-dimethylpyrimidine-4,6-diamine (PubChem CID 80984500) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 2-ethyl-4-N-(1-methoxypentan-2-yl)-6-N,5-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-ethyl-4-N-(1-methoxypentan-2-yl)-6-N,5-dimethylpyrimidine-4,6-diamine
PubChem CID80984500
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name2-ethyl-4-N-(1-methoxypentan-2-yl)-6-N,5-dimethylpyrimidine-4,6-diamine
SMILESCCCC(COC)Nc1nc(CC)nc(NC)c1C
InChIInChI=1S/C14H26N4O/c1-6-8-11(9-19-5)16-14-10(3)13(15-4)17-12(7-2)18-14/h11H,6-9H2,1-5H3,(H2,15,16,17,18)
InChIKeyOBUDAQLOCARBJE-UHFFFAOYSA-N
XLogP2.62
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol
CID 114152264
6-hydrazinyl-N-(1-methoxypentan-2-yl)-2,5-dimethylpyrimidin-4-amine
CID 80918200
2-ethyl-4-N-(1-methoxypentan-2-yl)-6-N-methylpyrimidine-4,6-diamine
CID 80941879
6-N,2-diethyl-4-N-hexan-3-yl-5-methylpyrimidine-4,6-diamine
CID 80982661
3-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 83179481
2-ethyl-6-(2-methoxyethoxy)-N,5-dimethylpyrimidin-4-amine
CID 80988826
4-N-(3-methoxy-2-methylpropyl)-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80982288
2-ethyl-6-N,5-dimethyl-4-N-propylpyrimidine-4,6-diamine
CID 80982045
4-N-(1-methoxy-3-methylbutan-2-yl)-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80841759
6-ethyl-4-N-(1-methoxypentan-2-yl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328231
6-(2,2-dimethylhydrazinyl)-2-ethyl-N,5-dimethylpyrimidin-4-amine
CID 83026946
2-ethyl-N,5-dimethyl-6-propan-2-yloxypyrimidin-4-amine
CID 80988466

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-N-(1-methoxypentan-2-yl)-6-N,5-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 2-ethyl-4-N-(1-methoxypentan-2-yl)-6-N,5-dimethylpyrimidine-4,6-diamine (CID 80984500) is 2-ethyl-4-N-(1-methoxypentan-2-yl)-6-N,5-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-ethyl-4-N-(1-methoxypentan-2-yl)-6-N,5-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 2-ethyl-4-N-(1-methoxypentan-2-yl)-6-N,5-dimethylpyrimidine-4,6-diamine is CCCC(COC)Nc1nc(CC)nc(NC)c1C.
What is the InChIKey of 2-ethyl-4-N-(1-methoxypentan-2-yl)-6-N,5-dimethylpyrimidine-4,6-diamine?
The InChIKey is OBUDAQLOCARBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-6-8-11(9-19-5)16-14-10(3)13(15-4)17-12(7-2)18-14/h11H,6-9H2,1-5H3,(H2,15,16,17,18).
What are the key properties of 2-ethyl-4-N-(1-methoxypentan-2-yl)-6-N,5-dimethylpyrimidine-4,6-diamine?
2-ethyl-4-N-(1-methoxypentan-2-yl)-6-N,5-dimethylpyrimidine-4,6-diamine has a molecular weight of 266.39 g/mol, XLogP of 2.62, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-N-(1-methoxypentan-2-yl)-6-N,5-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80984500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).