[1-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-4-methylcyclohexyl]methanol

C16H28N4O — CID 80940619

IUPAC[1-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-4-methylcyclohexyl]methanol
SMILESCCNc1cc(NC2(CO)CCC(C)CC2)nc(CC)n1
InChIInChI=1S/C16H28N4O/c1-4-13-18-14(17-5-2)10-15(19-13)20-16(11-21)8-6-12(3)7-9-16/h10,12,21H,4-9,11H2,1-3H3,(H2,17,18,19,20)
InChIKeyQQTDSKCLQXDFKU-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.82
Rot. Bonds6

About [1-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-4-methylcyclohexyl]methanol

[1-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-4-methylcyclohexyl]methanol (PubChem CID 80940619) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is [1-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-4-methylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-4-methylcyclohexyl]methanol
PubChem CID80940619
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name[1-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-4-methylcyclohexyl]methanol
SMILESCCNc1cc(NC2(CO)CCC(C)CC2)nc(CC)n1
InChIInChI=1S/C16H28N4O/c1-4-13-18-14(17-5-2)10-15(19-13)20-16(11-21)8-6-12(3)7-9-16/h10,12,21H,4-9,11H2,1-3H3,(H2,17,18,19,20)
InChIKeyQQTDSKCLQXDFKU-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-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-4-methylcyclohexyl]methanol with MolForge

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Related Compounds

[1-[[6-(ethylamino)pyrazin-2-yl]amino]-4-methylcyclohexyl]methanol
CID 80832803
[1-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-4-methylcyclohexyl]methanol
CID 80803602
[4-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]oxan-4-yl]methanol
CID 106301218
[1-[(6-amino-2-ethylpyrimidin-4-yl)amino]-3-methylcyclohexyl]methanol
CID 80934546
[1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-4-methylcyclohexyl]methanol
CID 80951495
[4-methyl-1-[(6-methylpyrimidin-4-yl)amino]cyclohexyl]methanol
CID 62525504
[1-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-4-methylcyclohexyl]methanol
CID 114562559
methyl 4-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-6-methylpyrimidine-2-carboxylate
CID 66285460
N,2-diethyl-6-(3-methylpyrrolidin-1-yl)pyrimidin-4-amine
CID 80933054
4-N-(2,4-dimethylcyclohexyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 80935219
4-N-cyclooctyl-6-N,2-diethylpyrimidine-4,6-diamine
CID 80933432
[4-methyl-1-(quinoxalin-2-ylamino)cyclohexyl]methanol
CID 62525503

Frequently Asked Questions

What is the IUPAC name of [1-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-4-methylcyclohexyl]methanol?
The IUPAC name of [1-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-4-methylcyclohexyl]methanol (CID 80940619) is [1-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-4-methylcyclohexyl]methanol.
What is the SMILES notation for [1-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-4-methylcyclohexyl]methanol?
The canonical SMILES for [1-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-4-methylcyclohexyl]methanol is CCNc1cc(NC2(CO)CCC(C)CC2)nc(CC)n1.
What is the InChIKey of [1-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-4-methylcyclohexyl]methanol?
The InChIKey is QQTDSKCLQXDFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-4-13-18-14(17-5-2)10-15(19-13)20-16(11-21)8-6-12(3)7-9-16/h10,12,21H,4-9,11H2,1-3H3,(H2,17,18,19,20).
What are the key properties of [1-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-4-methylcyclohexyl]methanol?
[1-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-4-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-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-4-methylcyclohexyl]methanol is sourced from PubChem (CID 80940619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).