4-ethyl-1-[[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]methyl]cyclohexan-1-ol

C16H28N4O — CID 80827960

IUPAC4-ethyl-1-[[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
SMILESCCNc1ncc(C)c(NCC2(O)CCC(CC)CC2)n1
InChIInChI=1S/C16H28N4O/c1-4-13-6-8-16(21,9-7-13)11-19-14-12(3)10-18-15(20-14)17-5-2/h10,13,21H,4-9,11H2,1-3H3,(H2,17,18,19,20)
InChIKeyFLDNDSGDRWITJC-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.96
Rot. Bonds6

About 4-ethyl-1-[[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]methyl]cyclohexan-1-ol

4-ethyl-1-[[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]methyl]cyclohexan-1-ol (PubChem CID 80827960) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 4-ethyl-1-[[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-ethyl-1-[[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
PubChem CID80827960
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name4-ethyl-1-[[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
SMILESCCNc1ncc(C)c(NCC2(O)CCC(CC)CC2)n1
InChIInChI=1S/C16H28N4O/c1-4-13-6-8-16(21,9-7-13)11-19-14-12(3)10-18-15(20-14)17-5-2/h10,13,21H,4-9,11H2,1-3H3,(H2,17,18,19,20)
InChIKeyFLDNDSGDRWITJC-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-ethyl-1-[[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]methyl]cyclohexan-1-ol with MolForge

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Related Compounds

1-[[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]methyl]cycloheptan-1-ol
CID 80842921
1-[[(2-amino-5-methylpyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 80843018
4-methyl-1-[[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 80842820
4-ethyl-1-[[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 80843418
4-ethyl-1-[[(5-methylpyrimidin-2-yl)amino]methyl]cyclohexan-1-ol
CID 65120061
2-N-ethyl-5-methyl-4-N-[(1-propylcyclopropyl)methyl]pyrimidine-2,4-diamine
CID 114102554
4-ethyl-1-[[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 80827870
1-[[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 80826151
1-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 80842338
1-[[(3-amino-5-methyl-2-pyridinyl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 66279334
4-N-[(4-ethylcyclohexyl)methyl]-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80818986
4-ethyl-1-[[(5-methyl-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 65120298

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-ethyl-1-[[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]methyl]cyclohexan-1-ol (CID 80827960) is 4-ethyl-1-[[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-ethyl-1-[[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-ethyl-1-[[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]methyl]cyclohexan-1-ol is CCNc1ncc(C)c(NCC2(O)CCC(CC)CC2)n1.
What is the InChIKey of 4-ethyl-1-[[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]methyl]cyclohexan-1-ol?
The InChIKey is FLDNDSGDRWITJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-4-13-6-8-16(21,9-7-13)11-19-14-12(3)10-18-15(20-14)17-5-2/h10,13,21H,4-9,11H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 4-ethyl-1-[[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]methyl]cyclohexan-1-ol?
4-ethyl-1-[[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]methyl]cyclohexan-1-ol has a molecular weight of 292.43 g/mol, XLogP of 2.96, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 80827960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).