[1-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-3-methylcyclohexyl]methanol

C16H28N4O — CID 80803825

IUPAC[1-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-3-methylcyclohexyl]methanol
SMILESCCNc1ncnc(NC2(CO)CCCC(C)C2)c1CC
InChIInChI=1S/C16H28N4O/c1-4-13-14(17-5-2)18-11-19-15(13)20-16(10-21)8-6-7-12(3)9-16/h11-12,21H,4-10H2,1-3H3,(H2,17,18,19,20)
InChIKeyINWJVTPVGPDKOZ-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.82
Rot. Bonds6

About [1-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-3-methylcyclohexyl]methanol

[1-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-3-methylcyclohexyl]methanol (PubChem CID 80803825) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is [1-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-3-methylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-3-methylcyclohexyl]methanol
PubChem CID80803825
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name[1-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-3-methylcyclohexyl]methanol
SMILESCCNc1ncnc(NC2(CO)CCCC(C)C2)c1CC
InChIInChI=1S/C16H28N4O/c1-4-13-14(17-5-2)18-11-19-15(13)20-16(10-21)8-6-7-12(3)9-16/h11-12,21H,4-10H2,1-3H3,(H2,17,18,19,20)
InChIKeyINWJVTPVGPDKOZ-UHFFFAOYSA-N
XLogP2.82
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [1-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-3-methylcyclohexyl]methanol with MolForge

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Related Compounds

[1-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]cyclohexyl]methanol
CID 80804152
[3-methyl-1-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]cyclohexyl]methanol
CID 80803951
[3-methyl-1-(thieno[3,2-d]pyrimidin-4-ylamino)cyclohexyl]methanol
CID 62525512
[1-[(6-chloropyrimidin-4-yl)amino]-3-methylcyclohexyl]methanol
CID 62553573
4-N-cyclopentyl-6-N,5-diethylpyrimidine-4,6-diamine
CID 80770074
[1-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-3-methylcyclohexyl]methanol
CID 80831993
6-N,5-diethyl-4-N-(1-methylcyclohexyl)pyrimidine-4,6-diamine
CID 80819002
[3-methyl-1-[(5-methylpyrimidin-2-yl)amino]cyclohexyl]methanol
CID 63208586
[1-[(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]-4-methylcyclohexyl]methanol
CID 80902544
[1-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-3-methylcyclohexyl]methanol
CID 80919691
4-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-5-iodo-1H-pyrimidin-6-one
CID 136975443
6-N,5-diethyl-4-N-(2-methylcyclohexyl)pyrimidine-4,6-diamine
CID 80777757

Frequently Asked Questions

What is the IUPAC name of [1-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-3-methylcyclohexyl]methanol?
The IUPAC name of [1-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-3-methylcyclohexyl]methanol (CID 80803825) is [1-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-3-methylcyclohexyl]methanol.
What is the SMILES notation for [1-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-3-methylcyclohexyl]methanol?
The canonical SMILES for [1-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-3-methylcyclohexyl]methanol is CCNc1ncnc(NC2(CO)CCCC(C)C2)c1CC.
What is the InChIKey of [1-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-3-methylcyclohexyl]methanol?
The InChIKey is INWJVTPVGPDKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-4-13-14(17-5-2)18-11-19-15(13)20-16(10-21)8-6-7-12(3)9-16/h11-12,21H,4-10H2,1-3H3,(H2,17,18,19,20).
What are the key properties of [1-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-3-methylcyclohexyl]methanol?
[1-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-3-methylcyclohexyl]methanol has a molecular weight of 292.43 g/mol, XLogP of 2.82, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-3-methylcyclohexyl]methanol is sourced from PubChem (CID 80803825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).