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

C13H24N4O — CID 80813302

IUPAC4-N-(1-ethoxypropan-2-yl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine
SMILESCCNc1nc(C)nc(NC(C)COCC)c1C
InChIInChI=1S/C13H24N4O/c1-6-14-12-10(4)13(17-11(5)16-12)15-9(3)8-18-7-2/h9H,6-8H2,1-5H3,(H2,14,15,16,17)
InChIKeyFEPHMQBPLCBYKX-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.36
Rot. Bonds7

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

4-N-(1-ethoxypropan-2-yl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine (PubChem CID 80813302) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-N-(1-ethoxypropan-2-yl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(1-ethoxypropan-2-yl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine
PubChem CID80813302
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name4-N-(1-ethoxypropan-2-yl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine
SMILESCCNc1nc(C)nc(NC(C)COCC)c1C
InChIInChI=1S/C13H24N4O/c1-6-14-12-10(4)13(17-11(5)16-12)15-9(3)8-18-7-2/h9H,6-8H2,1-5H3,(H2,14,15,16,17)
InChIKeyFEPHMQBPLCBYKX-UHFFFAOYSA-N
XLogP2.36
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(1-ethoxypropan-2-yl)-6-N-ethyl-5-methyl-2-propylpyrimidine-4,6-diamine
CID 80983313
N-(1-ethoxypropan-2-yl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine
CID 80903132
4-N-[1-(dimethylamino)propan-2-yl]-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine
CID 82949713
4-N-(1-cyclopropylpropan-2-yl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine
CID 80838415
6-N-(1-ethoxypropan-2-yl)-2-N-ethyl-3,5-difluoropyridine-2,6-diamine
CID 114074384
6-N-ethyl-2,5-dimethyl-4-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrimidine-4,6-diamine
CID 80801137
4-N-butan-2-yl-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80765465
4-N-butan-2-yl-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80766465
methyl 2-[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]-3-methylbutanoate
CID 80812557
2-[[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]propan-1-ol
CID 80993320
2-[[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80780005
6-N-ethyl-2,5-dimethyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80800277

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-ethoxypropan-2-yl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(1-ethoxypropan-2-yl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine (CID 80813302) is 4-N-(1-ethoxypropan-2-yl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(1-ethoxypropan-2-yl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(1-ethoxypropan-2-yl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine is CCNc1nc(C)nc(NC(C)COCC)c1C.
What is the InChIKey of 4-N-(1-ethoxypropan-2-yl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine?
The InChIKey is FEPHMQBPLCBYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-6-14-12-10(4)13(17-11(5)16-12)15-9(3)8-18-7-2/h9H,6-8H2,1-5H3,(H2,14,15,16,17).
What are the key properties of 4-N-(1-ethoxypropan-2-yl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine?
4-N-(1-ethoxypropan-2-yl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine has a molecular weight of 252.36 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-ethoxypropan-2-yl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80813302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).