6-chloro-2-N,4-N-bis(oxolan-2-ylmethyl)-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine

C33H58ClN7O2 — CID 22902728

IUPAC6-chloro-2-N,4-N-bis(oxolan-2-ylmethyl)-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
SMILESCN1C(C)(C)CC(N(CC2CCCO2)c2nc(Cl)nc(N(CC3CCCO3)C3CC(C)(C)N(C)C(C)(C)C3)n2)CC1(C)C
InChIInChI=1S/C33H58ClN7O2/c1-30(2)17-23(18-31(3,4)38(30)9)40(21-25-13-11-15-42-25)28-35-27(34)36-29(37-28)41(22-26-14-12-16-43-26)24-19-32(5,6)39(10)33(7,8)20-24/h23-26H,11-22H2,1-10H3
InChIKeyWIMMMXGZAWCZML-UHFFFAOYSA-N
MW620.33 g/mol
LogP5.80
Rot. Bonds8

About 6-chloro-2-N,4-N-bis(oxolan-2-ylmethyl)-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine

6-chloro-2-N,4-N-bis(oxolan-2-ylmethyl)-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 22902728) has the molecular formula C33H58ClN7O2 and a molecular weight of 620.33 g/mol. Its IUPAC name is 6-chloro-2-N,4-N-bis(oxolan-2-ylmethyl)-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N,4-N-bis(oxolan-2-ylmethyl)-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
PubChem CID22902728
Molecular FormulaC33H58ClN7O2
Molecular Weight620.33 g/mol
Exact Mass619.43
IUPAC Name6-chloro-2-N,4-N-bis(oxolan-2-ylmethyl)-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
SMILESCN1C(C)(C)CC(N(CC2CCCO2)c2nc(Cl)nc(N(CC3CCCO3)C3CC(C)(C)N(C)C(C)(C)C3)n2)CC1(C)C
InChIInChI=1S/C33H58ClN7O2/c1-30(2)17-23(18-31(3,4)38(30)9)40(21-25-13-11-15-42-25)28-35-27(34)36-29(37-28)41(22-26-14-12-16-43-26)24-19-32(5,6)39(10)33(7,8)20-24/h23-26H,11-22H2,1-10H3
InChIKeyWIMMMXGZAWCZML-UHFFFAOYSA-N
XLogP5.80
TPSA70.09 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.33
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 6-chloro-2-N,4-N-bis(oxolan-2-ylmethyl)-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N,4-N-bis(oxolan-2-ylmethyl)-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N,4-N-bis(oxolan-2-ylmethyl)-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine (CID 22902728) is 6-chloro-2-N,4-N-bis(oxolan-2-ylmethyl)-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N,4-N-bis(oxolan-2-ylmethyl)-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N,4-N-bis(oxolan-2-ylmethyl)-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine is CN1C(C)(C)CC(N(CC2CCCO2)c2nc(Cl)nc(N(CC3CCCO3)C3CC(C)(C)N(C)C(C)(C)C3)n2)CC1(C)C.
What is the InChIKey of 6-chloro-2-N,4-N-bis(oxolan-2-ylmethyl)-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is WIMMMXGZAWCZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H58ClN7O2/c1-30(2)17-23(18-31(3,4)38(30)9)40(21-25-13-11-15-42-25)28-35-27(34)36-29(37-28)41(22-26-14-12-16-43-26)24-19-32(5,6)39(10)33(7,8)20-24/h23-26H,11-22H2,1-10H3.
What are the key properties of 6-chloro-2-N,4-N-bis(oxolan-2-ylmethyl)-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine?
6-chloro-2-N,4-N-bis(oxolan-2-ylmethyl)-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 620.33 g/mol, XLogP of 5.80, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N,4-N-bis(oxolan-2-ylmethyl)-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 22902728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).