N-ethyl-6-(oxan-4-yloxy)-5-propan-2-ylpyrimidin-4-amine

C14H23N3O2 — CID 80872208

IUPACN-ethyl-6-(oxan-4-yloxy)-5-propan-2-ylpyrimidin-4-amine
SMILESCCNc1ncnc(OC2CCOCC2)c1C(C)C
InChIInChI=1S/C14H23N3O2/c1-4-15-13-12(10(2)3)14(17-9-16-13)19-11-5-7-18-8-6-11/h9-11H,4-8H2,1-3H3,(H,15,16,17)
InChIKeyFTZVXYPPVOWWSK-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.59
Rot. Bonds5

About N-ethyl-6-(oxan-4-yloxy)-5-propan-2-ylpyrimidin-4-amine

N-ethyl-6-(oxan-4-yloxy)-5-propan-2-ylpyrimidin-4-amine (PubChem CID 80872208) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-ethyl-6-(oxan-4-yloxy)-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-(oxan-4-yloxy)-5-propan-2-ylpyrimidin-4-amine
PubChem CID80872208
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-ethyl-6-(oxan-4-yloxy)-5-propan-2-ylpyrimidin-4-amine
SMILESCCNc1ncnc(OC2CCOCC2)c1C(C)C
InChIInChI=1S/C14H23N3O2/c1-4-15-13-12(10(2)3)14(17-9-16-13)19-11-5-7-18-8-6-11/h9-11H,4-8H2,1-3H3,(H,15,16,17)
InChIKeyFTZVXYPPVOWWSK-UHFFFAOYSA-N
XLogP2.59
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(oxan-4-yloxy)-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 80872308
6-cyclohexyloxy-N-ethyl-5-propan-2-ylpyrimidin-4-amine
CID 80859432
[6-(oxan-4-ylmethoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80924460
N-ethyl-6-(3-methylbutan-2-yloxy)-5-propan-2-ylpyrimidin-4-amine
CID 80883020
[6-(3-ethylcyclohexyl)oxy-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80922282
N-ethyl-5-propan-2-yl-6-prop-2-ynoxypyrimidin-4-amine
CID 80861670
N-ethyl-5-methoxy-6-(oxetan-3-yloxy)pyrimidin-4-amine
CID 102608811
N-ethyl-6-(3-methoxycyclohexyl)oxy-5-propylpyrimidin-4-amine
CID 80880199
[6-(3-methoxycyclohexyl)oxy-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80925378
6-(oxolan-2-ylmethoxy)-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 80859543
6-N-ethyl-5-methyl-4-N-(oxan-4-yl)pyrimidine-4,6-diamine
CID 80789183
6-(1-ethoxypropan-2-yloxy)-N-ethyl-5-propan-2-ylpyrimidin-4-amine
CID 103491655

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(oxan-4-yloxy)-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-ethyl-6-(oxan-4-yloxy)-5-propan-2-ylpyrimidin-4-amine (CID 80872208) is N-ethyl-6-(oxan-4-yloxy)-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-(oxan-4-yloxy)-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-(oxan-4-yloxy)-5-propan-2-ylpyrimidin-4-amine is CCNc1ncnc(OC2CCOCC2)c1C(C)C.
What is the InChIKey of N-ethyl-6-(oxan-4-yloxy)-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is FTZVXYPPVOWWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-4-15-13-12(10(2)3)14(17-9-16-13)19-11-5-7-18-8-6-11/h9-11H,4-8H2,1-3H3,(H,15,16,17).
What are the key properties of N-ethyl-6-(oxan-4-yloxy)-5-propan-2-ylpyrimidin-4-amine?
N-ethyl-6-(oxan-4-yloxy)-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 265.36 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(oxan-4-yloxy)-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80872208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).