N-[[2-(1-ethylpyrazol-4-yl)oxypyrimidin-5-yl]methyl]-2-methylpropan-2-amine

C14H21N5O — CID 116802125

IUPACN-[[2-(1-ethylpyrazol-4-yl)oxypyrimidin-5-yl]methyl]-2-methylpropan-2-amine
SMILESCCn1cc(Oc2ncc(CNC(C)(C)C)cn2)cn1
InChIInChI=1S/C14H21N5O/c1-5-19-10-12(9-18-19)20-13-15-6-11(7-16-13)8-17-14(2,3)4/h6-7,9-10,17H,5,8H2,1-4H3
InChIKeyDZCKCSJNRZNQGL-UHFFFAOYSA-N
MW275.36 g/mol
LogP2.37
Rot. Bonds5

About N-[[2-(1-ethylpyrazol-4-yl)oxypyrimidin-5-yl]methyl]-2-methylpropan-2-amine

N-[[2-(1-ethylpyrazol-4-yl)oxypyrimidin-5-yl]methyl]-2-methylpropan-2-amine (PubChem CID 116802125) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is N-[[2-(1-ethylpyrazol-4-yl)oxypyrimidin-5-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(1-ethylpyrazol-4-yl)oxypyrimidin-5-yl]methyl]-2-methylpropan-2-amine
PubChem CID116802125
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC NameN-[[2-(1-ethylpyrazol-4-yl)oxypyrimidin-5-yl]methyl]-2-methylpropan-2-amine
SMILESCCn1cc(Oc2ncc(CNC(C)(C)C)cn2)cn1
InChIInChI=1S/C14H21N5O/c1-5-19-10-12(9-18-19)20-13-15-6-11(7-16-13)8-17-14(2,3)4/h6-7,9-10,17H,5,8H2,1-4H3
InChIKeyDZCKCSJNRZNQGL-UHFFFAOYSA-N
XLogP2.37
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-[[2-(1-propylpyrazol-4-yl)oxypyrimidin-5-yl]methyl]propan-2-amine
CID 116802250
N-[[6-(1-ethylpyrazol-4-yl)oxy-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 116802121
N-[[2-(1-ethylpyrazol-4-yl)oxy-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 116802810
N-[[2-(1-ethylpyrazol-4-yl)oxy-6-methyl-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 116802838
N-[[3-[(1-ethylpyrazol-4-yl)oxymethyl]phenyl]methyl]-2-methylpropan-2-amine
CID 116803349
N-[[2-(1-ethylpyrazol-4-yl)oxy-5-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 116802111
1-ethyl-4-[(2-methylpropan-2-yl)oxy]pyrazole
CID 117229710
5-bromo-2-(1-ethylpyrazol-4-yl)oxy-4-methoxypyrimidine
CID 106999377
5-(chloromethyl)-2-(1-ethylpyrazol-4-yl)oxy-4-methylpyrimidine
CID 116802687
N-tert-butyl-2-(1-ethylpyrazol-4-yl)oxyacetamide
CID 116804669
1-ethyl-4-[(1-ethylpyrazol-4-yl)methoxy]pyrazole
CID 116804612
[4-(1-ethylpyrazol-4-yl)oxy-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 116806821

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-ethylpyrazol-4-yl)oxypyrimidin-5-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(1-ethylpyrazol-4-yl)oxypyrimidin-5-yl]methyl]-2-methylpropan-2-amine (CID 116802125) is N-[[2-(1-ethylpyrazol-4-yl)oxypyrimidin-5-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(1-ethylpyrazol-4-yl)oxypyrimidin-5-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(1-ethylpyrazol-4-yl)oxypyrimidin-5-yl]methyl]-2-methylpropan-2-amine is CCn1cc(Oc2ncc(CNC(C)(C)C)cn2)cn1.
What is the InChIKey of N-[[2-(1-ethylpyrazol-4-yl)oxypyrimidin-5-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is DZCKCSJNRZNQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-5-19-10-12(9-18-19)20-13-15-6-11(7-16-13)8-17-14(2,3)4/h6-7,9-10,17H,5,8H2,1-4H3.
What are the key properties of N-[[2-(1-ethylpyrazol-4-yl)oxypyrimidin-5-yl]methyl]-2-methylpropan-2-amine?
N-[[2-(1-ethylpyrazol-4-yl)oxypyrimidin-5-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 275.36 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-ethylpyrazol-4-yl)oxypyrimidin-5-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 116802125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).