6-[3-[4,6-bis(cyclohexylamino)-1,3,5-triazin-2-yl]cyclohexyl]-2-N,4-N-dicyclohexyl-1,3,5-triazine-2,4-diamine

C36H58N10 — CID 54056830

IUPAC6-[3-[4,6-bis(cyclohexylamino)-1,3,5-triazin-2-yl]cyclohexyl]-2-N,4-N-dicyclohexyl-1,3,5-triazine-2,4-diamine
SMILESC1CCC(Nc2nc(NC3CCCCC3)nc(C3CCCC(c4nc(NC5CCCCC5)nc(NC5CCCCC5)n4)C3)n2)CC1
InChIInChI=1S/C36H58N10/c1-5-16-27(17-6-1)37-33-41-31(42-34(45-33)38-28-18-7-2-8-19-28)25-14-13-15-26(24-25)32-43-35(39-29-20-9-3-10-21-29)46-36(44-32)40-30-22-11-4-12-23-30/h25-30H,1-24H2,(H2,37,38,41,42,45)(H2,39,40,43,44,46)
InChIKeyLWVNVHRAVQTRRG-UHFFFAOYSA-N
MW630.93 g/mol
LogP8.48
Rot. Bonds10

About 6-[3-[4,6-bis(cyclohexylamino)-1,3,5-triazin-2-yl]cyclohexyl]-2-N,4-N-dicyclohexyl-1,3,5-triazine-2,4-diamine

6-[3-[4,6-bis(cyclohexylamino)-1,3,5-triazin-2-yl]cyclohexyl]-2-N,4-N-dicyclohexyl-1,3,5-triazine-2,4-diamine (PubChem CID 54056830) has the molecular formula C36H58N10 and a molecular weight of 630.93 g/mol. Its IUPAC name is 6-[3-[4,6-bis(cyclohexylamino)-1,3,5-triazin-2-yl]cyclohexyl]-2-N,4-N-dicyclohexyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[3-[4,6-bis(cyclohexylamino)-1,3,5-triazin-2-yl]cyclohexyl]-2-N,4-N-dicyclohexyl-1,3,5-triazine-2,4-diamine
PubChem CID54056830
Molecular FormulaC36H58N10
Molecular Weight630.93 g/mol
Exact Mass630.48
IUPAC Name6-[3-[4,6-bis(cyclohexylamino)-1,3,5-triazin-2-yl]cyclohexyl]-2-N,4-N-dicyclohexyl-1,3,5-triazine-2,4-diamine
SMILESC1CCC(Nc2nc(NC3CCCCC3)nc(C3CCCC(c4nc(NC5CCCCC5)nc(NC5CCCCC5)n4)C3)n2)CC1
InChIInChI=1S/C36H58N10/c1-5-16-27(17-6-1)37-33-41-31(42-34(45-33)38-28-18-7-2-8-19-28)25-14-13-15-26(24-25)32-43-35(39-29-20-9-3-10-21-29)46-36(44-32)40-30-22-11-4-12-23-30/h25-30H,1-24H2,(H2,37,38,41,42,45)(H2,39,40,43,44,46)
InChIKeyLWVNVHRAVQTRRG-UHFFFAOYSA-N
XLogP8.48
TPSA125.46 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.93
LogP ≤ 58.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 6-[3-[4,6-bis(cyclohexylamino)-1,3,5-triazin-2-yl]cyclohexyl]-2-N,4-N-dicyclohexyl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

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CID 54212362
CID 54212362
CID 54438582
CID 54438582
CID 67592370
CID 67592370
CID 10449137
CID 10449137
CID 10450011
CID 10450011

Frequently Asked Questions

What is the IUPAC name of 6-[3-[4,6-bis(cyclohexylamino)-1,3,5-triazin-2-yl]cyclohexyl]-2-N,4-N-dicyclohexyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[3-[4,6-bis(cyclohexylamino)-1,3,5-triazin-2-yl]cyclohexyl]-2-N,4-N-dicyclohexyl-1,3,5-triazine-2,4-diamine (CID 54056830) is 6-[3-[4,6-bis(cyclohexylamino)-1,3,5-triazin-2-yl]cyclohexyl]-2-N,4-N-dicyclohexyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[3-[4,6-bis(cyclohexylamino)-1,3,5-triazin-2-yl]cyclohexyl]-2-N,4-N-dicyclohexyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[3-[4,6-bis(cyclohexylamino)-1,3,5-triazin-2-yl]cyclohexyl]-2-N,4-N-dicyclohexyl-1,3,5-triazine-2,4-diamine is C1CCC(Nc2nc(NC3CCCCC3)nc(C3CCCC(c4nc(NC5CCCCC5)nc(NC5CCCCC5)n4)C3)n2)CC1.
What is the InChIKey of 6-[3-[4,6-bis(cyclohexylamino)-1,3,5-triazin-2-yl]cyclohexyl]-2-N,4-N-dicyclohexyl-1,3,5-triazine-2,4-diamine?
The InChIKey is LWVNVHRAVQTRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H58N10/c1-5-16-27(17-6-1)37-33-41-31(42-34(45-33)38-28-18-7-2-8-19-28)25-14-13-15-26(24-25)32-43-35(39-29-20-9-3-10-21-29)46-36(44-32)40-30-22-11-4-12-23-30/h25-30H,1-24H2,(H2,37,38,41,42,45)(H2,39,40,43,44,46).
What are the key properties of 6-[3-[4,6-bis(cyclohexylamino)-1,3,5-triazin-2-yl]cyclohexyl]-2-N,4-N-dicyclohexyl-1,3,5-triazine-2,4-diamine?
6-[3-[4,6-bis(cyclohexylamino)-1,3,5-triazin-2-yl]cyclohexyl]-2-N,4-N-dicyclohexyl-1,3,5-triazine-2,4-diamine has a molecular weight of 630.93 g/mol, XLogP of 8.48, 10 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[4,6-bis(cyclohexylamino)-1,3,5-triazin-2-yl]cyclohexyl]-2-N,4-N-dicyclohexyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 54056830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).