N-[[5-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine

C14H21N5O — CID 81341493

IUPACN-[[5-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine
SMILESCCNCc1nc(C(C)C)ncc1Oc1cc(C)[nH]n1
InChIInChI=1S/C14H21N5O/c1-5-15-7-11-12(8-16-14(17-11)9(2)3)20-13-6-10(4)18-19-13/h6,8-9,15H,5,7H2,1-4H3,(H,18,19)
InChIKeyNAUXSDXQYLMJIE-UHFFFAOYSA-N
MW275.36 g/mol
LogP2.53
Rot. Bonds6

About N-[[5-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine

N-[[5-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine (PubChem CID 81341493) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is N-[[5-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine
PubChem CID81341493
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC NameN-[[5-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine
SMILESCCNCc1nc(C(C)C)ncc1Oc1cc(C)[nH]n1
InChIInChI=1S/C14H21N5O/c1-5-15-7-11-12(8-16-14(17-11)9(2)3)20-13-6-10(4)18-19-13/h6,8-9,15H,5,7H2,1-4H3,(H,18,19)
InChIKeyNAUXSDXQYLMJIE-UHFFFAOYSA-N
XLogP2.53
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[5-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine with MolForge

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Related Compounds

4-Methyl-14-(trifluoromethyl)-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3,6,13(17),14-pentaene
CID 155397829
5-fluoro-4-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidin-2-amine
CID 81341512
2-chloro-5-fluoro-4-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidine
CID 81341658
5-fluoro-4-[(5-methyl-1H-pyrazol-3-yl)oxy]-N-propylpyrimidin-2-amine
CID 81342441
[5-fluoro-4-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidin-2-yl]hydrazine
CID 81342550
5-fluoro-N-methyl-4-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidin-2-amine
CID 81342635
N-ethyl-5-fluoro-4-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidin-2-amine
CID 81342638
4-(2,5-dimethylpyrazol-3-yl)oxy-5-fluoro-N-propylpyrimidin-2-amine
CID 81345942
2-Chloro-4-(1-ethylpyrazol-4-yl)oxy-6-(trifluoromethyl)pyrimidine
CID 114562140
2-Chloro-4-(1-propylpyrazol-4-yl)oxy-6-(trifluoromethyl)pyrimidine
CID 114562141
N-methyl-4-(1-methylpyrazol-4-yl)oxy-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566614
4-(1-Methylpyrazol-4-yl)oxy-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566615

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine?
The IUPAC name of N-[[5-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine (CID 81341493) is N-[[5-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine is CCNCc1nc(C(C)C)ncc1Oc1cc(C)[nH]n1.
What is the InChIKey of N-[[5-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine?
The InChIKey is NAUXSDXQYLMJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-5-15-7-11-12(8-16-14(17-11)9(2)3)20-13-6-10(4)18-19-13/h6,8-9,15H,5,7H2,1-4H3,(H,18,19).
What are the key properties of N-[[5-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine?
N-[[5-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine has a molecular weight of 275.36 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-propan-2-ylpyrimidin-4-yl]methyl]ethanamine is sourced from PubChem (CID 81341493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).