2-[cyclohexyl-[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethanol

C16H28N4O — CID 80787099

IUPAC2-[cyclohexyl-[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethanol
SMILESCCCNc1cc(N(CCO)C2CCCCC2)nc(C)n1
InChIInChI=1S/C16H28N4O/c1-3-9-17-15-12-16(19-13(2)18-15)20(10-11-21)14-7-5-4-6-8-14/h12,14,21H,3-11H2,1-2H3,(H,17,18,19)
InChIKeyRTHSJVYWZPXQAA-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.74
Rot. Bonds7

About 2-[cyclohexyl-[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethanol

2-[cyclohexyl-[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethanol (PubChem CID 80787099) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 2-[cyclohexyl-[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[cyclohexyl-[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethanol
PubChem CID80787099
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name2-[cyclohexyl-[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethanol
SMILESCCCNc1cc(N(CCO)C2CCCCC2)nc(C)n1
InChIInChI=1S/C16H28N4O/c1-3-9-17-15-12-16(19-13(2)18-15)20(10-11-21)14-7-5-4-6-8-14/h12,14,21H,3-11H2,1-2H3,(H,17,18,19)
InChIKeyRTHSJVYWZPXQAA-UHFFFAOYSA-N
XLogP2.74
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[cyclopentyl-[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethanol
CID 80809845
2-[cyclobutyl-[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 102875669
2-[cyclobutyl-(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]ethanol
CID 102875846
2-[cyclopentyl-[6-(propylamino)pyrimidin-4-yl]amino]ethanol
CID 80811058
2-[(6-chloro-2-methylpyrimidin-4-yl)-cyclohexylamino]ethanol
CID 55080382
2-[cyclobutyl-[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]ethanol
CID 102875637
4-N-cyclopentyl-6-N-ethyl-2-methyl-4-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 80839121
4-N-cyclohexyl-4-N,2-diethyl-6-N-propylpyrimidine-4,6-diamine
CID 80939490
2-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]-cyclobutylamino]ethanol
CID 102875677
2-tert-butyl-4-N-cyclopropyl-4-N,6-N-dipropylpyrimidine-4,6-diamine
CID 80960352
4-N-(1,1-dioxothiolan-3-yl)-4-N-ethyl-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 112867221
2-[cyclohexyl-[6-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 80810817

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl-[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[cyclohexyl-[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethanol (CID 80787099) is 2-[cyclohexyl-[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[cyclohexyl-[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[cyclohexyl-[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethanol is CCCNc1cc(N(CCO)C2CCCCC2)nc(C)n1.
What is the InChIKey of 2-[cyclohexyl-[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethanol?
The InChIKey is RTHSJVYWZPXQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-3-9-17-15-12-16(19-13(2)18-15)20(10-11-21)14-7-5-4-6-8-14/h12,14,21H,3-11H2,1-2H3,(H,17,18,19).
What are the key properties of 2-[cyclohexyl-[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethanol?
2-[cyclohexyl-[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethanol has a molecular weight of 292.43 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl-[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 80787099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).