N-tert-butyl-4-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine

C16H22ClN7OS — CID 3157303

IUPACN-tert-butyl-4-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCc1cc(Sc2nc(NC(C)(C)C)nc(N3CCOCC3)n2)nc(Cl)n1
InChIInChI=1S/C16H22ClN7OS/c1-10-9-11(19-12(17)18-10)26-15-21-13(23-16(2,3)4)20-14(22-15)24-5-7-25-8-6-24/h9H,5-8H2,1-4H3,(H,20,21,22,23)
InChIKeyPWSRHFAHSDFDRR-UHFFFAOYSA-N
MW395.92 g/mol
LogP2.82
Rot. Bonds4

About N-tert-butyl-4-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine

N-tert-butyl-4-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 3157303) has the molecular formula C16H22ClN7OS and a molecular weight of 395.92 g/mol. Its IUPAC name is N-tert-butyl-4-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-tert-butyl-4-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID3157303
Molecular FormulaC16H22ClN7OS
Molecular Weight395.92 g/mol
Exact Mass395.13
IUPAC NameN-tert-butyl-4-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCc1cc(Sc2nc(NC(C)(C)C)nc(N3CCOCC3)n2)nc(Cl)n1
InChIInChI=1S/C16H22ClN7OS/c1-10-9-11(19-12(17)18-10)26-15-21-13(23-16(2,3)4)20-14(22-15)24-5-7-25-8-6-24/h9H,5-8H2,1-4H3,(H,20,21,22,23)
InChIKeyPWSRHFAHSDFDRR-UHFFFAOYSA-N
XLogP2.82
TPSA88.95 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.92
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-tert-butyl-4-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine (CID 3157303) is N-tert-butyl-4-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-tert-butyl-4-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-tert-butyl-4-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine is Cc1cc(Sc2nc(NC(C)(C)C)nc(N3CCOCC3)n2)nc(Cl)n1.
What is the InChIKey of N-tert-butyl-4-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is PWSRHFAHSDFDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN7OS/c1-10-9-11(19-12(17)18-10)26-15-21-13(23-16(2,3)4)20-14(22-15)24-5-7-25-8-6-24/h9H,5-8H2,1-4H3,(H,20,21,22,23).
What are the key properties of N-tert-butyl-4-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine?
N-tert-butyl-4-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 395.92 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-6-morpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 3157303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).