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

C19H29N7O — CID 117093528

IUPAC4-[[4-(diethylamino)-6-(pyridin-3-ylmethylamino)-1,3,5-triazin-2-yl]amino]cyclohexan-1-ol
SMILESCCN(CC)c1nc(NCc2cccnc2)nc(NC2CCC(O)CC2)n1
InChIInChI=1S/C19H29N7O/c1-3-26(4-2)19-24-17(21-13-14-6-5-11-20-12-14)23-18(25-19)22-15-7-9-16(27)10-8-15/h5-6,11-12,15-16,27H,3-4,7-10,13H2,1-2H3,(H2,21,22,23,24,25)
InChIKeyURYCLTSPMDGUGJ-UHFFFAOYSA-N
MW371.49 g/mol
LogP2.44
Rot. Bonds8

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

4-[[4-(diethylamino)-6-(pyridin-3-ylmethylamino)-1,3,5-triazin-2-yl]amino]cyclohexan-1-ol (PubChem CID 117093528) has the molecular formula C19H29N7O and a molecular weight of 371.49 g/mol. Its IUPAC name is 4-[[4-(diethylamino)-6-(pyridin-3-ylmethylamino)-1,3,5-triazin-2-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[4-(diethylamino)-6-(pyridin-3-ylmethylamino)-1,3,5-triazin-2-yl]amino]cyclohexan-1-ol
PubChem CID117093528
Molecular FormulaC19H29N7O
Molecular Weight371.49 g/mol
Exact Mass371.24
IUPAC Name4-[[4-(diethylamino)-6-(pyridin-3-ylmethylamino)-1,3,5-triazin-2-yl]amino]cyclohexan-1-ol
SMILESCCN(CC)c1nc(NCc2cccnc2)nc(NC2CCC(O)CC2)n1
InChIInChI=1S/C19H29N7O/c1-3-26(4-2)19-24-17(21-13-14-6-5-11-20-12-14)23-18(25-19)22-15-7-9-16(27)10-8-15/h5-6,11-12,15-16,27H,3-4,7-10,13H2,1-2H3,(H2,21,22,23,24,25)
InChIKeyURYCLTSPMDGUGJ-UHFFFAOYSA-N
XLogP2.44
TPSA99.09 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

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Launch Full Analysis

Related Compounds

2-N-(1-benzylpiperidin-4-yl)-4-N-cyclopentyl-6-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 134108561
4-N-cyclopropyl-2-N,2-N-diethyl-6-N-pyrimidin-4-yl-1,3,5-triazine-2,4,6-triamine
CID 117084981
3-[[4-(diethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]cyclobutan-1-ol
CID 80832237
4-N-cycloheptyl-6-methyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112919599
4-N-(1-benzylpiperidin-4-yl)-2-N,2-N-diethyl-6-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4,6-triamine
CID 117090153
2-N,2-N-diethyl-6-N-methyl-4-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 80773355
4-N-cyclohexyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112884771
1-N,4-N-bis(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
CID 139088209
2-N-cyclopentyl-6-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112934432
5-(4-methylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)-1,2,4-triazin-3-amine
CID 112942587
N-(4-hydroxycyclohexyl)-5-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063200
N,N-diethyl-4-[(pyridin-3-ylmethylamino)methyl]aniline
CID 1075944

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(diethylamino)-6-(pyridin-3-ylmethylamino)-1,3,5-triazin-2-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[4-(diethylamino)-6-(pyridin-3-ylmethylamino)-1,3,5-triazin-2-yl]amino]cyclohexan-1-ol (CID 117093528) is 4-[[4-(diethylamino)-6-(pyridin-3-ylmethylamino)-1,3,5-triazin-2-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[4-(diethylamino)-6-(pyridin-3-ylmethylamino)-1,3,5-triazin-2-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[4-(diethylamino)-6-(pyridin-3-ylmethylamino)-1,3,5-triazin-2-yl]amino]cyclohexan-1-ol is CCN(CC)c1nc(NCc2cccnc2)nc(NC2CCC(O)CC2)n1.
What is the InChIKey of 4-[[4-(diethylamino)-6-(pyridin-3-ylmethylamino)-1,3,5-triazin-2-yl]amino]cyclohexan-1-ol?
The InChIKey is URYCLTSPMDGUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N7O/c1-3-26(4-2)19-24-17(21-13-14-6-5-11-20-12-14)23-18(25-19)22-15-7-9-16(27)10-8-15/h5-6,11-12,15-16,27H,3-4,7-10,13H2,1-2H3,(H2,21,22,23,24,25).
What are the key properties of 4-[[4-(diethylamino)-6-(pyridin-3-ylmethylamino)-1,3,5-triazin-2-yl]amino]cyclohexan-1-ol?
4-[[4-(diethylamino)-6-(pyridin-3-ylmethylamino)-1,3,5-triazin-2-yl]amino]cyclohexan-1-ol has a molecular weight of 371.49 g/mol, XLogP of 2.44, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(diethylamino)-6-(pyridin-3-ylmethylamino)-1,3,5-triazin-2-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 117093528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).