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

C15H23N5O — CID 81337690

IUPACN-[[5-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-propan-2-ylpyrimidin-4-yl]methyl]propan-1-amine
SMILESCCCNCc1nc(C(C)C)ncc1Oc1cc(C)[nH]n1
InChIInChI=1S/C15H23N5O/c1-5-6-16-8-12-13(9-17-15(18-12)10(2)3)21-14-7-11(4)19-20-14/h7,9-10,16H,5-6,8H2,1-4H3,(H,19,20)
InChIKeyUBYRNGDRRIECEG-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.92
Rot. Bonds7

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

N-[[5-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-propan-2-ylpyrimidin-4-yl]methyl]propan-1-amine (PubChem CID 81337690) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[[5-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-propan-2-ylpyrimidin-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-propan-2-ylpyrimidin-4-yl]methyl]propan-1-amine
PubChem CID81337690
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC NameN-[[5-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-propan-2-ylpyrimidin-4-yl]methyl]propan-1-amine
SMILESCCCNCc1nc(C(C)C)ncc1Oc1cc(C)[nH]n1
InChIInChI=1S/C15H23N5O/c1-5-6-16-8-12-13(9-17-15(18-12)10(2)3)21-14-7-11(4)19-20-14/h7,9-10,16H,5-6,8H2,1-4H3,(H,19,20)
InChIKeyUBYRNGDRRIECEG-UHFFFAOYSA-N
XLogP2.92
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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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]propan-1-amine?
The IUPAC name of N-[[5-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-propan-2-ylpyrimidin-4-yl]methyl]propan-1-amine (CID 81337690) is N-[[5-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-propan-2-ylpyrimidin-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-propan-2-ylpyrimidin-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-propan-2-ylpyrimidin-4-yl]methyl]propan-1-amine is CCCNCc1nc(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]propan-1-amine?
The InChIKey is UBYRNGDRRIECEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-5-6-16-8-12-13(9-17-15(18-12)10(2)3)21-14-7-11(4)19-20-14/h7,9-10,16H,5-6,8H2,1-4H3,(H,19,20).
What are the key properties of N-[[5-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-propan-2-ylpyrimidin-4-yl]methyl]propan-1-amine?
N-[[5-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-propan-2-ylpyrimidin-4-yl]methyl]propan-1-amine has a molecular weight of 289.38 g/mol, XLogP of 2.92, 7 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]propan-1-amine is sourced from PubChem (CID 81337690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).