[2-[[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]methyl]cyclohexyl]methanol

C15H26N4O — CID 80856614

IUPAC[2-[[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]methyl]cyclohexyl]methanol
SMILESCCNc1nc(C)cc(NCC2CCCCC2CO)n1
InChIInChI=1S/C15H26N4O/c1-3-16-15-18-11(2)8-14(19-15)17-9-12-6-4-5-7-13(12)10-20/h8,12-13,20H,3-7,9-10H2,1-2H3,(H2,16,17,18,19)
InChIKeyOBEDSEWJMMQLSN-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.43
Rot. Bonds6

About [2-[[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]methyl]cyclohexyl]methanol

[2-[[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]methyl]cyclohexyl]methanol (PubChem CID 80856614) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is [2-[[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[2-[[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]methyl]cyclohexyl]methanol
PubChem CID80856614
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name[2-[[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]methyl]cyclohexyl]methanol
SMILESCCNc1nc(C)cc(NCC2CCCCC2CO)n1
InChIInChI=1S/C15H26N4O/c1-3-16-15-18-11(2)8-14(19-15)17-9-12-6-4-5-7-13(12)10-20/h8,12-13,20H,3-7,9-10H2,1-2H3,(H2,16,17,18,19)
InChIKeyOBEDSEWJMMQLSN-UHFFFAOYSA-N
XLogP2.43
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]methyl]cyclohexyl]methanol?
The IUPAC name of [2-[[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]methyl]cyclohexyl]methanol (CID 80856614) is [2-[[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [2-[[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]methyl]cyclohexyl]methanol?
The canonical SMILES for [2-[[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]methyl]cyclohexyl]methanol is CCNc1nc(C)cc(NCC2CCCCC2CO)n1.
What is the InChIKey of [2-[[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]methyl]cyclohexyl]methanol?
The InChIKey is OBEDSEWJMMQLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-3-16-15-18-11(2)8-14(19-15)17-9-12-6-4-5-7-13(12)10-20/h8,12-13,20H,3-7,9-10H2,1-2H3,(H2,16,17,18,19).
What are the key properties of [2-[[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]methyl]cyclohexyl]methanol?
[2-[[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]methyl]cyclohexyl]methanol has a molecular weight of 278.40 g/mol, XLogP of 2.43, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]methyl]cyclohexyl]methanol is sourced from PubChem (CID 80856614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).