N-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)morpholin-4-amine

C13H21ClN4O — CID 83023702

IUPACN-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)morpholin-4-amine
SMILESCc1c(Cl)nc(C(C)(C)C)nc1NN1CCOCC1
InChIInChI=1S/C13H21ClN4O/c1-9-10(14)15-12(13(2,3)4)16-11(9)17-18-5-7-19-8-6-18/h5-8H2,1-4H3,(H,15,16,17)
InChIKeyQFNWJAXJAHEAMC-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.40
Rot. Bonds2

About N-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)morpholin-4-amine

N-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)morpholin-4-amine (PubChem CID 83023702) has the molecular formula C13H21ClN4O and a molecular weight of 284.79 g/mol. Its IUPAC name is N-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)morpholin-4-amine.

Molecular Properties

Compound NameN-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)morpholin-4-amine
PubChem CID83023702
Molecular FormulaC13H21ClN4O
Molecular Weight284.79 g/mol
Exact Mass284.14
IUPAC NameN-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)morpholin-4-amine
SMILESCc1c(Cl)nc(C(C)(C)C)nc1NN1CCOCC1
InChIInChI=1S/C13H21ClN4O/c1-9-10(14)15-12(13(2,3)4)16-11(9)17-18-5-7-19-8-6-18/h5-8H2,1-4H3,(H,15,16,17)
InChIKeyQFNWJAXJAHEAMC-UHFFFAOYSA-N
XLogP2.40
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)morpholin-4-amine?
The IUPAC name of N-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)morpholin-4-amine (CID 83023702) is N-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)morpholin-4-amine.
What is the SMILES notation for N-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)morpholin-4-amine?
The canonical SMILES for N-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)morpholin-4-amine is Cc1c(Cl)nc(C(C)(C)C)nc1NN1CCOCC1.
What is the InChIKey of N-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)morpholin-4-amine?
The InChIKey is QFNWJAXJAHEAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4O/c1-9-10(14)15-12(13(2,3)4)16-11(9)17-18-5-7-19-8-6-18/h5-8H2,1-4H3,(H,15,16,17).
What are the key properties of N-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)morpholin-4-amine?
N-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)morpholin-4-amine has a molecular weight of 284.79 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)morpholin-4-amine is sourced from PubChem (CID 83023702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).