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

C17H32ClN5 — CID 6430820

IUPAC6-chloro-2-N,4-N-bis(4,4-dimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCC(CC(C)(C)C)Nc1nc(Cl)nc(NC(C)CC(C)(C)C)n1
InChIInChI=1S/C17H32ClN5/c1-11(9-16(3,4)5)19-14-21-13(18)22-15(23-14)20-12(2)10-17(6,7)8/h11-12H,9-10H2,1-8H3,(H2,19,20,21,22,23)
InChIKeyMFORFBJBHLBNSR-UHFFFAOYSA-N
MW341.93 g/mol
LogP5.00
Rot. Bonds6

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

6-chloro-2-N,4-N-bis(4,4-dimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 6430820) has the molecular formula C17H32ClN5 and a molecular weight of 341.93 g/mol. Its IUPAC name is 6-chloro-2-N,4-N-bis(4,4-dimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N,4-N-bis(4,4-dimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine
PubChem CID6430820
Molecular FormulaC17H32ClN5
Molecular Weight341.93 g/mol
Exact Mass341.23
IUPAC Name6-chloro-2-N,4-N-bis(4,4-dimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCC(CC(C)(C)C)Nc1nc(Cl)nc(NC(C)CC(C)(C)C)n1
InChIInChI=1S/C17H32ClN5/c1-11(9-16(3,4)5)19-14-21-13(18)22-15(23-14)20-12(2)10-17(6,7)8/h11-12H,9-10H2,1-8H3,(H2,19,20,21,22,23)
InChIKeyMFORFBJBHLBNSR-UHFFFAOYSA-N
XLogP5.00
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.93
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N,4-N-bis(4,4-dimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N,4-N-bis(4,4-dimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine (CID 6430820) is 6-chloro-2-N,4-N-bis(4,4-dimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N,4-N-bis(4,4-dimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N,4-N-bis(4,4-dimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine is CC(CC(C)(C)C)Nc1nc(Cl)nc(NC(C)CC(C)(C)C)n1.
What is the InChIKey of 6-chloro-2-N,4-N-bis(4,4-dimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is MFORFBJBHLBNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32ClN5/c1-11(9-16(3,4)5)19-14-21-13(18)22-15(23-14)20-12(2)10-17(6,7)8/h11-12H,9-10H2,1-8H3,(H2,19,20,21,22,23).
What are the key properties of 6-chloro-2-N,4-N-bis(4,4-dimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine?
6-chloro-2-N,4-N-bis(4,4-dimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 341.93 g/mol, XLogP of 5.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N,4-N-bis(4,4-dimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 6430820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).