2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]cyclohexan-1-ol

C13H22N6O — CID 80825889

IUPAC2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]cyclohexan-1-ol
SMILESNc1nc(NC2CCCCC2O)nc(N2CCCC2)n1
InChIInChI=1S/C13H22N6O/c14-11-16-12(15-9-5-1-2-6-10(9)20)18-13(17-11)19-7-3-4-8-19/h9-10,20H,1-8H2,(H3,14,15,16,17,18)
InChIKeyYVBHSMIAWVBVHD-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.77
Rot. Bonds3

About 2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]cyclohexan-1-ol

2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]cyclohexan-1-ol (PubChem CID 80825889) has the molecular formula C13H22N6O and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]cyclohexan-1-ol
PubChem CID80825889
Molecular FormulaC13H22N6O
Molecular Weight278.36 g/mol
Exact Mass278.19
IUPAC Name2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]cyclohexan-1-ol
SMILESNc1nc(NC2CCCCC2O)nc(N2CCCC2)n1
InChIInChI=1S/C13H22N6O/c14-11-16-12(15-9-5-1-2-6-10(9)20)18-13(17-11)19-7-3-4-8-19/h9-10,20H,1-8H2,(H3,14,15,16,17,18)
InChIKeyYVBHSMIAWVBVHD-UHFFFAOYSA-N
XLogP0.77
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]cyclohexan-1-ol with MolForge

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Related Compounds

2-N-(2-methylcycloheptyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80830801
2-N-(oxan-4-yl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80789723
6-piperidin-1-yl-2-N-(2,2,3,3-tetramethylcyclopropyl)-1,3,5-triazine-2,4-diamine
CID 80836332
2-N-(3,4-dimethylcyclohexyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80827386
2-N-(2-methylcyclohexyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80778221
2-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80770376
4-cyclopentyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 55251303
2-N-(2,3-dimethylcyclopentyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80826348
trans-(1S,2S)-2-(4-piperidin-1-ylanilino)cyclohexan-1-ol
CID 102731230
2-N-[4-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]butyl]-1,3,5-triazine-2,4,6-triamine
CID 139460803
[1-[[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclopropyl]methanol
CID 115457180
cis-(1S,2R)-2-[(2-amino-6-chloropyrimidin-4-yl)amino]cyclohexan-1-ol
CID 52840167

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]cyclohexan-1-ol?
The IUPAC name of 2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]cyclohexan-1-ol (CID 80825889) is 2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for 2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]cyclohexan-1-ol?
The canonical SMILES for 2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]cyclohexan-1-ol is Nc1nc(NC2CCCCC2O)nc(N2CCCC2)n1.
What is the InChIKey of 2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]cyclohexan-1-ol?
The InChIKey is YVBHSMIAWVBVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O/c14-11-16-12(15-9-5-1-2-6-10(9)20)18-13(17-11)19-7-3-4-8-19/h9-10,20H,1-8H2,(H3,14,15,16,17,18).
What are the key properties of 2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]cyclohexan-1-ol?
2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]cyclohexan-1-ol has a molecular weight of 278.36 g/mol, XLogP of 0.77, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 80825889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).