2-tert-butyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine

C13H22N4O — CID 80966887

IUPAC2-tert-butyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine
SMILESCC1COCCN1c1cc(N)nc(C(C)(C)C)n1
InChIInChI=1S/C13H22N4O/c1-9-8-18-6-5-17(9)11-7-10(14)15-12(16-11)13(2,3)4/h7,9H,5-6,8H2,1-4H3,(H2,14,15,16)
InChIKeyKMYTYWQLQXVBOY-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.58
Rot. Bonds1

About 2-tert-butyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine

2-tert-butyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine (PubChem CID 80966887) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-tert-butyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine
PubChem CID80966887
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-tert-butyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine
SMILESCC1COCCN1c1cc(N)nc(C(C)(C)C)n1
InChIInChI=1S/C13H22N4O/c1-9-8-18-6-5-17(9)11-7-10(14)15-12(16-11)13(2,3)4/h7,9H,5-6,8H2,1-4H3,(H2,14,15,16)
InChIKeyKMYTYWQLQXVBOY-UHFFFAOYSA-N
XLogP1.58
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-tert-butyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-tert-butyl-6-(3-ethylmorpholin-4-yl)pyrimidin-4-amine
CID 80967084
2-tert-butyl-6-(2-methylpyrrolidin-1-yl)pyrimidin-4-amine
CID 80967534
6-(3-methylmorpholin-4-yl)pyridine-2,3-diamine
CID 79826016
2-tert-butyl-N,5-dimethyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine
CID 80993569
2-(2-amino-6-methoxy-4-pyridinyl)-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine;methanethiol;oxetane
CID 142518032
4-[4-chloro-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-3-methylmorpholine
CID 123801845
2-[4-chloro-6-(3-methylmorpholin-4-yl)-2-pyridinyl]propan-2-ol
CID 166983217
4-(4-chloro-6-methyl-2-pyridinyl)-3-methylmorpholine
CID 166928502
4-(2-chloro-6-methylpyrimidin-4-yl)-3-methylmorpholine
CID 62483626
6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-c]pyridin-4-yl)pyrimidin-4-amine
CID 137417744
4-(6-chloropyrazin-2-yl)-3-methylmorpholine
CID 61360365
6-methyl-2-(3-methylmorpholin-4-yl)pyridin-3-amine
CID 81131826

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine (CID 80966887) is 2-tert-butyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine is CC1COCCN1c1cc(N)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine?
The InChIKey is KMYTYWQLQXVBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-9-8-18-6-5-17(9)11-7-10(14)15-12(16-11)13(2,3)4/h7,9H,5-6,8H2,1-4H3,(H2,14,15,16).
What are the key properties of 2-tert-butyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine?
2-tert-butyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine has a molecular weight of 250.35 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 80966887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).