3-[[4-[4-[4,6-bis(3-hydroxypropylamino)-1,3,5-triazin-2-yl]cyclohexyl]-6-(3-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol

C24H42N10O4 — CID 19034506

IUPAC3-[[4-[4-[4,6-bis(3-hydroxypropylamino)-1,3,5-triazin-2-yl]cyclohexyl]-6-(3-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
SMILESOCCCNc1nc(NCCCO)nc(C2CCC(c3nc(NCCCO)nc(NCCCO)n3)CC2)n1
InChIInChI=1S/C24H42N10O4/c35-13-1-9-25-21-29-19(30-22(33-21)26-10-2-14-36)17-5-7-18(8-6-17)20-31-23(27-11-3-15-37)34-24(32-20)28-12-4-16-38/h17-18,35-38H,1-16H2,(H2,25,26,29,30,33)(H2,27,28,31,32,34)
InChIKeyKEQIUBPJOGIUNT-UHFFFAOYSA-N
MW534.67 g/mol
LogP0.68
Rot. Bonds18

About 3-[[4-[4-[4,6-bis(3-hydroxypropylamino)-1,3,5-triazin-2-yl]cyclohexyl]-6-(3-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol

3-[[4-[4-[4,6-bis(3-hydroxypropylamino)-1,3,5-triazin-2-yl]cyclohexyl]-6-(3-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol (PubChem CID 19034506) has the molecular formula C24H42N10O4 and a molecular weight of 534.67 g/mol. Its IUPAC name is 3-[[4-[4-[4,6-bis(3-hydroxypropylamino)-1,3,5-triazin-2-yl]cyclohexyl]-6-(3-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[4-[4-[4,6-bis(3-hydroxypropylamino)-1,3,5-triazin-2-yl]cyclohexyl]-6-(3-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
PubChem CID19034506
Molecular FormulaC24H42N10O4
Molecular Weight534.67 g/mol
Exact Mass534.34
IUPAC Name3-[[4-[4-[4,6-bis(3-hydroxypropylamino)-1,3,5-triazin-2-yl]cyclohexyl]-6-(3-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
SMILESOCCCNc1nc(NCCCO)nc(C2CCC(c3nc(NCCCO)nc(NCCCO)n3)CC2)n1
InChIInChI=1S/C24H42N10O4/c35-13-1-9-25-21-29-19(30-22(33-21)26-10-2-14-36)17-5-7-18(8-6-17)20-31-23(27-11-3-15-37)34-24(32-20)28-12-4-16-38/h17-18,35-38H,1-16H2,(H2,25,26,29,30,33)(H2,27,28,31,32,34)
InChIKeyKEQIUBPJOGIUNT-UHFFFAOYSA-N
XLogP0.68
TPSA206.38 Ų
H-Bond Donors8
H-Bond Acceptors14
Rotatable Bonds18
Heavy Atoms38
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500534.67
LogP ≤ 50.68
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[[4-[4-[4,6-bis(3-hydroxypropylamino)-1,3,5-triazin-2-yl]cyclohexyl]-6-(3-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[4-[4,6-bis(3-piperidin-1-ylpropylamino)-1,3,5-triazin-2-yl]cyclohexyl]-2-N,4-N-bis(3-piperidin-1-ylpropyl)-1,3,5-triazine-2,4-diamine
CID 54011673
3-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]propan-1-ol
CID 80953184
5-[[4,6-bis(5-hydroxypentylamino)-1,3,5-triazin-2-yl]amino]pentan-1-ol
CID 12010696
7-[[4,6-bis(7-hydroxyheptylamino)-1,3,5-triazin-2-yl]amino]heptan-1-ol
CID 139959885
4-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]butan-1-ol
CID 106842916
5-[[4-amino-6-[5-[(4,6-diamino-1,3,5-triazin-2-yl)amino]pentylamino]-1,3,5-triazin-2-yl]amino]pentan-1-ol
CID 139460807
3-[[4,6-bis[(3S,5R)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 58865494
3-[[(4-amino-6-cyclopropyl-1,3,5-triazin-2-yl)amino]methyl]pentan-1-ol
CID 112746297
3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 80773244
3-[(4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 80942778
12-[(4,6-diamino-1,3,5-triazin-2-yl)amino]dodecan-1-ol
CID 139959880
3-[(4-chloro-6-ethylpyrimidin-2-yl)amino]propan-1-ol
CID 82460980

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[4-[4,6-bis(3-hydroxypropylamino)-1,3,5-triazin-2-yl]cyclohexyl]-6-(3-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol?
The IUPAC name of 3-[[4-[4-[4,6-bis(3-hydroxypropylamino)-1,3,5-triazin-2-yl]cyclohexyl]-6-(3-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol (CID 19034506) is 3-[[4-[4-[4,6-bis(3-hydroxypropylamino)-1,3,5-triazin-2-yl]cyclohexyl]-6-(3-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol.
What is the SMILES notation for 3-[[4-[4-[4,6-bis(3-hydroxypropylamino)-1,3,5-triazin-2-yl]cyclohexyl]-6-(3-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol?
The canonical SMILES for 3-[[4-[4-[4,6-bis(3-hydroxypropylamino)-1,3,5-triazin-2-yl]cyclohexyl]-6-(3-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol is OCCCNc1nc(NCCCO)nc(C2CCC(c3nc(NCCCO)nc(NCCCO)n3)CC2)n1.
What is the InChIKey of 3-[[4-[4-[4,6-bis(3-hydroxypropylamino)-1,3,5-triazin-2-yl]cyclohexyl]-6-(3-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol?
The InChIKey is KEQIUBPJOGIUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42N10O4/c35-13-1-9-25-21-29-19(30-22(33-21)26-10-2-14-36)17-5-7-18(8-6-17)20-31-23(27-11-3-15-37)34-24(32-20)28-12-4-16-38/h17-18,35-38H,1-16H2,(H2,25,26,29,30,33)(H2,27,28,31,32,34).
What are the key properties of 3-[[4-[4-[4,6-bis(3-hydroxypropylamino)-1,3,5-triazin-2-yl]cyclohexyl]-6-(3-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol?
3-[[4-[4-[4,6-bis(3-hydroxypropylamino)-1,3,5-triazin-2-yl]cyclohexyl]-6-(3-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol has a molecular weight of 534.67 g/mol, XLogP of 0.68, 18 rotatable bonds, 8 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[4-[4,6-bis(3-hydroxypropylamino)-1,3,5-triazin-2-yl]cyclohexyl]-6-(3-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol is sourced from PubChem (CID 19034506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).