2-methyl-5-[(2-methylselanyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine

C14H18N4OSe — CID 158850448

IUPAC2-methyl-5-[(2-methylselanyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine
SMILESC[Se]c1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1
InChIInChI=1S/C14H18N4OSe/c1-8(2)10-6-17-13(20-4)5-11(10)19-12-7-16-9(3)18-14(12)15/h5-8H,1-4H3,(H2,15,16,18)
InChIKeyKTROWMUIKUYDAA-UHFFFAOYSA-N
MW337.29 g/mol
LogP2.06
Rot. Bonds4

About 2-methyl-5-[(2-methylselanyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine

2-methyl-5-[(2-methylselanyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine (PubChem CID 158850448) has the molecular formula C14H18N4OSe and a molecular weight of 337.29 g/mol. Its IUPAC name is 2-methyl-5-[(2-methylselanyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-5-[(2-methylselanyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine
PubChem CID158850448
Molecular FormulaC14H18N4OSe
Molecular Weight337.29 g/mol
Exact Mass338.06
IUPAC Name2-methyl-5-[(2-methylselanyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine
SMILESC[Se]c1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1
InChIInChI=1S/C14H18N4OSe/c1-8(2)10-6-17-13(20-4)5-11(10)19-12-7-16-9(3)18-14(12)15/h5-8H,1-4H3,(H2,15,16,18)
InChIKeyKTROWMUIKUYDAA-UHFFFAOYSA-N
XLogP2.06
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.29
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-methyl-5-[(2-methylselanyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine with MolForge

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Related Compounds

5-[[2-[cyclopropyl(methyl)amino]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine
CID 159145940
5-[4-methoxy-5-(1-methoxyethyl)-2-propan-2-ylphenoxy]-2-methylpyrimidin-4-amine
CID 147984735
[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]urea
CID 158445340
1-[5-(4-amino-2-methylpyrimidin-5-yl)oxy-2-methoxy-4-propan-2-ylphenyl]-3-ethylurea
CID 160731462
2-methyl-5-(4-methyl-2-propan-2-ylphenoxy)pyrimidin-4-amine;2-(4-methyl-2-propan-2-ylphenoxy)acetonitrile
CID 159163664
2-methyl-5-[(3-propan-2-yl-1,7-naphthyridin-4-yl)oxy]pyrimidin-4-amine
CID 167626151
4-(2,4-diaminopyrimidin-5-yl)oxy-2-methyl-5-propan-2-ylphenol
CID 71206317
5-[(5-propan-2-yl-2-prop-1-ynyl-4-pyridinyl)oxy]pyrimidine-2,4-diamine
CID 147504835
4-[4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-yl-2-pyridinyl]-2-methylbut-3-yn-2-ol;5-[(5-bromo-2-methoxy-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine
CID 167647897
5-[(5-ethynyl-6-methoxy-2-propan-2-yl-3-pyridinyl)oxy]-2-methylpyrimidin-4-amine
CID 158874276
N-[5-(2,4-diaminopyrimidin-5-yl)oxy-2-methyl-4-propan-2-ylphenyl]thiohydroxylamine
CID 158412823
5-(4-methoxy-5-methyl-2-propan-2-ylphenoxy)-2-N-methylpyrimidine-2,4-diamine
CID 149414681

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(2-methylselanyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine?
The IUPAC name of 2-methyl-5-[(2-methylselanyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine (CID 158850448) is 2-methyl-5-[(2-methylselanyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-5-[(2-methylselanyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-5-[(2-methylselanyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine is C[Se]c1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1.
What is the InChIKey of 2-methyl-5-[(2-methylselanyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine?
The InChIKey is KTROWMUIKUYDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OSe/c1-8(2)10-6-17-13(20-4)5-11(10)19-12-7-16-9(3)18-14(12)15/h5-8H,1-4H3,(H2,15,16,18).
What are the key properties of 2-methyl-5-[(2-methylselanyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine?
2-methyl-5-[(2-methylselanyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine has a molecular weight of 337.29 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(2-methylselanyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-4-amine is sourced from PubChem (CID 158850448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).