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

C14H24N4O — CID 80832803

IUPAC[1-[[6-(ethylamino)pyrazin-2-yl]amino]-4-methylcyclohexyl]methanol
SMILESCCNc1cncc(NC2(CO)CCC(C)CC2)n1
InChIInChI=1S/C14H24N4O/c1-3-16-12-8-15-9-13(17-12)18-14(10-19)6-4-11(2)5-7-14/h8-9,11,19H,3-7,10H2,1-2H3,(H2,16,17,18)
InChIKeyGLDSXXGNKYZBCR-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.26
Rot. Bonds5

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

[1-[[6-(ethylamino)pyrazin-2-yl]amino]-4-methylcyclohexyl]methanol (PubChem CID 80832803) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is [1-[[6-(ethylamino)pyrazin-2-yl]amino]-4-methylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[6-(ethylamino)pyrazin-2-yl]amino]-4-methylcyclohexyl]methanol
PubChem CID80832803
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name[1-[[6-(ethylamino)pyrazin-2-yl]amino]-4-methylcyclohexyl]methanol
SMILESCCNc1cncc(NC2(CO)CCC(C)CC2)n1
InChIInChI=1S/C14H24N4O/c1-3-16-12-8-15-9-13(17-12)18-14(10-19)6-4-11(2)5-7-14/h8-9,11,19H,3-7,10H2,1-2H3,(H2,16,17,18)
InChIKeyGLDSXXGNKYZBCR-UHFFFAOYSA-N
XLogP2.26
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[[6-(ethylamino)pyrazin-2-yl]amino]-4-methylcyclohexyl]methanol?
The IUPAC name of [1-[[6-(ethylamino)pyrazin-2-yl]amino]-4-methylcyclohexyl]methanol (CID 80832803) is [1-[[6-(ethylamino)pyrazin-2-yl]amino]-4-methylcyclohexyl]methanol.
What is the SMILES notation for [1-[[6-(ethylamino)pyrazin-2-yl]amino]-4-methylcyclohexyl]methanol?
The canonical SMILES for [1-[[6-(ethylamino)pyrazin-2-yl]amino]-4-methylcyclohexyl]methanol is CCNc1cncc(NC2(CO)CCC(C)CC2)n1.
What is the InChIKey of [1-[[6-(ethylamino)pyrazin-2-yl]amino]-4-methylcyclohexyl]methanol?
The InChIKey is GLDSXXGNKYZBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-3-16-12-8-15-9-13(17-12)18-14(10-19)6-4-11(2)5-7-14/h8-9,11,19H,3-7,10H2,1-2H3,(H2,16,17,18).
What are the key properties of [1-[[6-(ethylamino)pyrazin-2-yl]amino]-4-methylcyclohexyl]methanol?
[1-[[6-(ethylamino)pyrazin-2-yl]amino]-4-methylcyclohexyl]methanol has a molecular weight of 264.37 g/mol, XLogP of 2.26, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[6-(ethylamino)pyrazin-2-yl]amino]-4-methylcyclohexyl]methanol is sourced from PubChem (CID 80832803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).