N-ethyl-5-propan-2-yl-6-prop-2-ynoxypyrimidin-4-amine

C12H17N3O — CID 80861670

IUPACN-ethyl-5-propan-2-yl-6-prop-2-ynoxypyrimidin-4-amine
SMILESC#CCOc1ncnc(NCC)c1C(C)C
InChIInChI=1S/C12H17N3O/c1-5-7-16-12-10(9(3)4)11(13-6-2)14-8-15-12/h1,8-9H,6-7H2,2-4H3,(H,13,14,15)
InChIKeyAXPSALFYDLCHNR-UHFFFAOYSA-N
MW219.29 g/mol
LogP2.04
Rot. Bonds5

About N-ethyl-5-propan-2-yl-6-prop-2-ynoxypyrimidin-4-amine

N-ethyl-5-propan-2-yl-6-prop-2-ynoxypyrimidin-4-amine (PubChem CID 80861670) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is N-ethyl-5-propan-2-yl-6-prop-2-ynoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-5-propan-2-yl-6-prop-2-ynoxypyrimidin-4-amine
PubChem CID80861670
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC NameN-ethyl-5-propan-2-yl-6-prop-2-ynoxypyrimidin-4-amine
SMILESC#CCOc1ncnc(NCC)c1C(C)C
InChIInChI=1S/C12H17N3O/c1-5-7-16-12-10(9(3)4)11(13-6-2)14-8-15-12/h1,8-9H,6-7H2,2-4H3,(H,13,14,15)
InChIKeyAXPSALFYDLCHNR-UHFFFAOYSA-N
XLogP2.04
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-6-(3-methylbutan-2-yloxy)-5-propan-2-ylpyrimidin-4-amine
CID 80883020
6-(2-chlorophenoxy)-N-ethyl-5-propan-2-ylpyrimidin-4-amine
CID 80863799
N-ethyl-6-(3-methylbut-3-enoxy)-5-propan-2-ylpyrimidin-4-amine
CID 114471166
6-[(2-chlorophenyl)methoxy]-N-ethyl-5-propan-2-ylpyrimidin-4-amine
CID 80844937
6-(1-ethoxypropan-2-yloxy)-N-ethyl-5-propan-2-ylpyrimidin-4-amine
CID 103491655
6-cyclohexyloxy-N-ethyl-5-propan-2-ylpyrimidin-4-amine
CID 80859432
N-ethyl-6-(2-fluorophenoxy)-5-propan-2-ylpyrimidin-4-amine
CID 80863706
N-ethyl-6-(oxan-4-yloxy)-5-propan-2-ylpyrimidin-4-amine
CID 80872208
4-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80770662
6-(2-methylpentoxy)-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 103286435
6-(2,4-difluorophenoxy)-N-ethyl-5-propan-2-ylpyrimidin-4-amine
CID 80866182
1-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propan-2-ol
CID 80779051

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-propan-2-yl-6-prop-2-ynoxypyrimidin-4-amine?
The IUPAC name of N-ethyl-5-propan-2-yl-6-prop-2-ynoxypyrimidin-4-amine (CID 80861670) is N-ethyl-5-propan-2-yl-6-prop-2-ynoxypyrimidin-4-amine.
What is the SMILES notation for N-ethyl-5-propan-2-yl-6-prop-2-ynoxypyrimidin-4-amine?
The canonical SMILES for N-ethyl-5-propan-2-yl-6-prop-2-ynoxypyrimidin-4-amine is C#CCOc1ncnc(NCC)c1C(C)C.
What is the InChIKey of N-ethyl-5-propan-2-yl-6-prop-2-ynoxypyrimidin-4-amine?
The InChIKey is AXPSALFYDLCHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-5-7-16-12-10(9(3)4)11(13-6-2)14-8-15-12/h1,8-9H,6-7H2,2-4H3,(H,13,14,15).
What are the key properties of N-ethyl-5-propan-2-yl-6-prop-2-ynoxypyrimidin-4-amine?
N-ethyl-5-propan-2-yl-6-prop-2-ynoxypyrimidin-4-amine has a molecular weight of 219.29 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-propan-2-yl-6-prop-2-ynoxypyrimidin-4-amine is sourced from PubChem (CID 80861670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).