2-tert-butyl-N,5-dimethyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine

C15H26N4O — CID 80993569

IUPAC2-tert-butyl-N,5-dimethyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine
SMILESCNc1nc(C(C)(C)C)nc(N2CCOCC2C)c1C
InChIInChI=1S/C15H26N4O/c1-10-9-20-8-7-19(10)13-11(2)12(16-6)17-14(18-13)15(3,4)5/h10H,7-9H2,1-6H3,(H,16,17,18)
InChIKeyZHLAOMWZOREPLY-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.35
Rot. Bonds2

About 2-tert-butyl-N,5-dimethyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine

2-tert-butyl-N,5-dimethyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine (PubChem CID 80993569) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-tert-butyl-N,5-dimethyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-N,5-dimethyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine
PubChem CID80993569
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name2-tert-butyl-N,5-dimethyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine
SMILESCNc1nc(C(C)(C)C)nc(N2CCOCC2C)c1C
InChIInChI=1S/C15H26N4O/c1-10-9-20-8-7-19(10)13-11(2)12(16-6)17-14(18-13)15(3,4)5/h10H,7-9H2,1-6H3,(H,16,17,18)
InChIKeyZHLAOMWZOREPLY-UHFFFAOYSA-N
XLogP2.35
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-5-methyl-6-(3-methylmorpholin-4-yl)-2-propylpyrimidin-4-amine
CID 80993713
2-tert-butyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine
CID 80966887
3,5-dichloro-N-methyl-6-(3-methylmorpholin-4-yl)pyridin-2-amine
CID 102756106
5-methyl-6-(3-methylmorpholin-4-yl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80986419
2-cyclopropyl-5-methyl-6-(3-methylmorpholin-4-yl)-N-propylpyrimidin-4-amine
CID 80986418
2-tert-butyl-N,5-dimethyl-6-thiomorpholin-4-ylpyrimidin-4-amine
CID 80981364
2-tert-butyl-6-(4,4-dimethylpiperidin-1-yl)-N,5-dimethylpyrimidin-4-amine
CID 80983639
2-tert-butyl-N,5-dimethyl-6-piperazin-1-ylpyrimidin-4-amine
CID 80984497
2-tert-butyl-5-methyl-6-(2-methylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine
CID 80987881
2-cyclopropyl-6-(3-ethylmorpholin-4-yl)-N,5-dimethylpyrimidin-4-amine
CID 80993593
5-ethyl-N-methyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine
CID 80780914
6-(2,4-dimethylpiperidin-1-yl)-N,2,5-trimethylpyrimidin-4-amine
CID 80825971

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N,5-dimethyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-N,5-dimethyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine (CID 80993569) is 2-tert-butyl-N,5-dimethyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-N,5-dimethyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-N,5-dimethyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine is CNc1nc(C(C)(C)C)nc(N2CCOCC2C)c1C.
What is the InChIKey of 2-tert-butyl-N,5-dimethyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine?
The InChIKey is ZHLAOMWZOREPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-10-9-20-8-7-19(10)13-11(2)12(16-6)17-14(18-13)15(3,4)5/h10H,7-9H2,1-6H3,(H,16,17,18).
What are the key properties of 2-tert-butyl-N,5-dimethyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine?
2-tert-butyl-N,5-dimethyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine has a molecular weight of 278.40 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N,5-dimethyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 80993569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).