4-chloro-6-morpholin-4-yl-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazin-2-amine

C15H26ClN5O — CID 139072586

IUPAC4-chloro-6-morpholin-4-yl-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazin-2-amine
SMILESCC(C)(C)CC(C)(C)Nc1nc(Cl)nc(N2CCOCC2)n1
InChIInChI=1S/C15H26ClN5O/c1-14(2,3)10-15(4,5)20-12-17-11(16)18-13(19-12)21-6-8-22-9-7-21/h6-10H2,1-5H3,(H,17,18,19,20)
InChIKeyCARMNHJWGRPIQN-UHFFFAOYSA-N
MW327.86 g/mol
LogP2.99
Rot. Bonds4

About 4-chloro-6-morpholin-4-yl-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazin-2-amine

4-chloro-6-morpholin-4-yl-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazin-2-amine (PubChem CID 139072586) has the molecular formula C15H26ClN5O and a molecular weight of 327.86 g/mol. Its IUPAC name is 4-chloro-6-morpholin-4-yl-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-morpholin-4-yl-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazin-2-amine
PubChem CID139072586
Molecular FormulaC15H26ClN5O
Molecular Weight327.86 g/mol
Exact Mass327.18
IUPAC Name4-chloro-6-morpholin-4-yl-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazin-2-amine
SMILESCC(C)(C)CC(C)(C)Nc1nc(Cl)nc(N2CCOCC2)n1
InChIInChI=1S/C15H26ClN5O/c1-14(2,3)10-15(4,5)20-12-17-11(16)18-13(19-12)21-6-8-22-9-7-21/h6-10H2,1-5H3,(H,17,18,19,20)
InChIKeyCARMNHJWGRPIQN-UHFFFAOYSA-N
XLogP2.99
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.86
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-morpholin-4-yl-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-morpholin-4-yl-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazin-2-amine (CID 139072586) is 4-chloro-6-morpholin-4-yl-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-morpholin-4-yl-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-morpholin-4-yl-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazin-2-amine is CC(C)(C)CC(C)(C)Nc1nc(Cl)nc(N2CCOCC2)n1.
What is the InChIKey of 4-chloro-6-morpholin-4-yl-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazin-2-amine?
The InChIKey is CARMNHJWGRPIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClN5O/c1-14(2,3)10-15(4,5)20-12-17-11(16)18-13(19-12)21-6-8-22-9-7-21/h6-10H2,1-5H3,(H,17,18,19,20).
What are the key properties of 4-chloro-6-morpholin-4-yl-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazin-2-amine?
4-chloro-6-morpholin-4-yl-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazin-2-amine has a molecular weight of 327.86 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-morpholin-4-yl-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 139072586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).