5-ethyl-N-methyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidin-4-amine

C13H23N3O2 — CID 112590958

IUPAC5-ethyl-N-methyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidin-4-amine
SMILESCCc1c(NC)ncnc1OCCOC(C)(C)C
InChIInChI=1S/C13H23N3O2/c1-6-10-11(14-5)15-9-16-12(10)17-7-8-18-13(2,3)4/h9H,6-8H2,1-5H3,(H,14,15,16)
InChIKeyGUDMLOSYQGOQHQ-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.27
Rot. Bonds6

About 5-ethyl-N-methyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidin-4-amine

5-ethyl-N-methyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidin-4-amine (PubChem CID 112590958) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 5-ethyl-N-methyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidin-4-amine.

Molecular Properties

Compound Name5-ethyl-N-methyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidin-4-amine
PubChem CID112590958
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name5-ethyl-N-methyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidin-4-amine
SMILESCCc1c(NC)ncnc1OCCOC(C)(C)C
InChIInChI=1S/C13H23N3O2/c1-6-10-11(14-5)15-9-16-12(10)17-7-8-18-13(2,3)4/h9H,6-8H2,1-5H3,(H,14,15,16)
InChIKeyGUDMLOSYQGOQHQ-UHFFFAOYSA-N
XLogP2.27
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-5-propylpyrimidin-4-amine
CID 112590923
6-butoxy-5-ethyl-N-methylpyrimidin-4-amine
CID 80866739
4-chloro-5-ethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidine
CID 112587576
5-ethyl-N-methyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine
CID 80877734
5-ethyl-6-(2-methoxyethoxy)-N-propylpyrimidin-4-amine
CID 80859758
N-methyl-6-(2-propoxyethoxy)-5-propylpyrimidin-4-amine
CID 80876335
N,5-diethyl-6-[2-(2-methoxyethoxy)ethoxy]pyrimidin-4-amine
CID 104568314
N,5-diethyl-6-heptoxypyrimidin-4-amine
CID 80862239
6-(2-cyclopropylethoxy)-N,5-diethylpyrimidin-4-amine
CID 106207529
6-heptoxy-N-methyl-5-propylpyrimidin-4-amine
CID 80861395
6-[(4-bromophenyl)methoxy]-5-ethyl-N-methylpyrimidin-4-amine
CID 82825139
5-ethyl-4-N-(2-methoxy-2-methylpropyl)-6-N-methylpyrimidine-4,6-diamine
CID 104767180

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-methyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidin-4-amine?
The IUPAC name of 5-ethyl-N-methyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidin-4-amine (CID 112590958) is 5-ethyl-N-methyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidin-4-amine.
What is the SMILES notation for 5-ethyl-N-methyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidin-4-amine?
The canonical SMILES for 5-ethyl-N-methyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidin-4-amine is CCc1c(NC)ncnc1OCCOC(C)(C)C.
What is the InChIKey of 5-ethyl-N-methyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidin-4-amine?
The InChIKey is GUDMLOSYQGOQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-6-10-11(14-5)15-9-16-12(10)17-7-8-18-13(2,3)4/h9H,6-8H2,1-5H3,(H,14,15,16).
What are the key properties of 5-ethyl-N-methyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidin-4-amine?
5-ethyl-N-methyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidin-4-amine has a molecular weight of 253.35 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-methyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidin-4-amine is sourced from PubChem (CID 112590958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).