4-[[6-(propylamino)pyrazin-2-yl]amino]cyclohexan-1-ol

C13H22N4O — CID 80770120

IUPAC4-[[6-(propylamino)pyrazin-2-yl]amino]cyclohexan-1-ol
SMILESCCCNc1cncc(NC2CCC(O)CC2)n1
InChIInChI=1S/C13H22N4O/c1-2-7-15-12-8-14-9-13(17-12)16-10-3-5-11(18)6-4-10/h8-11,18H,2-7H2,1H3,(H2,15,16,17)
InChIKeySTPKHUDMAGVQTK-UHFFFAOYSA-N
MW250.35 g/mol
LogP2.01
Rot. Bonds5

About 4-[[6-(propylamino)pyrazin-2-yl]amino]cyclohexan-1-ol

4-[[6-(propylamino)pyrazin-2-yl]amino]cyclohexan-1-ol (PubChem CID 80770120) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-[[6-(propylamino)pyrazin-2-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[6-(propylamino)pyrazin-2-yl]amino]cyclohexan-1-ol
PubChem CID80770120
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name4-[[6-(propylamino)pyrazin-2-yl]amino]cyclohexan-1-ol
SMILESCCCNc1cncc(NC2CCC(O)CC2)n1
InChIInChI=1S/C13H22N4O/c1-2-7-15-12-8-14-9-13(17-12)16-10-3-5-11(18)6-4-10/h8-11,18H,2-7H2,1H3,(H2,15,16,17)
InChIKeySTPKHUDMAGVQTK-UHFFFAOYSA-N
XLogP2.01
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 80940576
4-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 80955979
2-N-(1,1-dioxothiolan-3-yl)-6-N-propylpyrazine-2,6-diamine
CID 80786198
2-N-(3-ethylcyclohexyl)-6-N-propylpyrazine-2,6-diamine
CID 80840757
2-N-(1-ethylpiperidin-3-yl)-6-N-propylpyrazine-2,6-diamine
CID 80800932
6-N-propyl-2-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazine-2,6-diamine
CID 80798375
2-N-(2,3-dimethylcyclohexyl)-6-N-propylpyrazine-2,6-diamine
CID 80777015
2-N-(2-cyclobutylethyl)-6-N-propylpyrazine-2,6-diamine
CID 113479503
2-N-(2-cyclohexyloxyethyl)-6-N-propylpyrazine-2,6-diamine
CID 80846576
2-N-[(2-methylcyclopentyl)methyl]-6-N-propylpyrazine-2,6-diamine
CID 107421236
2-N-(1-azabicyclo[2.2.2]octan-3-yl)-6-N-propylpyrazine-2,6-diamine
CID 80778324
6-hydrazinyl-N-(4-methylcyclohexyl)pyrazin-2-amine
CID 80944207

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(propylamino)pyrazin-2-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[6-(propylamino)pyrazin-2-yl]amino]cyclohexan-1-ol (CID 80770120) is 4-[[6-(propylamino)pyrazin-2-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[6-(propylamino)pyrazin-2-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[6-(propylamino)pyrazin-2-yl]amino]cyclohexan-1-ol is CCCNc1cncc(NC2CCC(O)CC2)n1.
What is the InChIKey of 4-[[6-(propylamino)pyrazin-2-yl]amino]cyclohexan-1-ol?
The InChIKey is STPKHUDMAGVQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-2-7-15-12-8-14-9-13(17-12)16-10-3-5-11(18)6-4-10/h8-11,18H,2-7H2,1H3,(H2,15,16,17).
What are the key properties of 4-[[6-(propylamino)pyrazin-2-yl]amino]cyclohexan-1-ol?
4-[[6-(propylamino)pyrazin-2-yl]amino]cyclohexan-1-ol has a molecular weight of 250.35 g/mol, XLogP of 2.01, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(propylamino)pyrazin-2-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 80770120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).