4-ethyl-1-[[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]methyl]cyclohexan-1-ol

C16H28N4O — CID 80827870

IUPAC4-ethyl-1-[[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
SMILESCCNc1nc(C)cc(NCC2(O)CCC(CC)CC2)n1
InChIInChI=1S/C16H28N4O/c1-4-13-6-8-16(21,9-7-13)11-18-14-10-12(3)19-15(20-14)17-5-2/h10,13,21H,4-9,11H2,1-3H3,(H2,17,18,19,20)
InChIKeyAPZHNMLGIUJDGM-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.96
Rot. Bonds6

About 4-ethyl-1-[[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]methyl]cyclohexan-1-ol

4-ethyl-1-[[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]methyl]cyclohexan-1-ol (PubChem CID 80827870) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 4-ethyl-1-[[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-ethyl-1-[[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
PubChem CID80827870
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name4-ethyl-1-[[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
SMILESCCNc1nc(C)cc(NCC2(O)CCC(CC)CC2)n1
InChIInChI=1S/C16H28N4O/c1-4-13-6-8-16(21,9-7-13)11-18-14-10-12(3)19-15(20-14)17-5-2/h10,13,21H,4-9,11H2,1-3H3,(H2,17,18,19,20)
InChIKeyAPZHNMLGIUJDGM-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

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-ethyl-1-[[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]methyl]cyclohexan-1-ol (CID 80827870) is 4-ethyl-1-[[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-ethyl-1-[[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-ethyl-1-[[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]methyl]cyclohexan-1-ol is CCNc1nc(C)cc(NCC2(O)CCC(CC)CC2)n1.
What is the InChIKey of 4-ethyl-1-[[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]methyl]cyclohexan-1-ol?
The InChIKey is APZHNMLGIUJDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-4-13-6-8-16(21,9-7-13)11-18-14-10-12(3)19-15(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)-6-methylpyrimidin-4-yl]amino]methyl]cyclohexan-1-ol?
4-ethyl-1-[[[2-(ethylamino)-6-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)-6-methylpyrimidin-4-yl]amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 80827870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).