N-[2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-1-amine

C16H25N5 — CID 79219999

IUPACN-[2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-1-amine
SMILESCCCNCCc1c(C)nn(-c2nc(C)cc(C)n2)c1C
InChIInChI=1S/C16H25N5/c1-6-8-17-9-7-15-13(4)20-21(14(15)5)16-18-11(2)10-12(3)19-16/h10,17H,6-9H2,1-5H3
InChIKeyUYQGPJHABMEFRJ-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.44
Rot. Bonds6

About N-[2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-1-amine

N-[2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-1-amine (PubChem CID 79219999) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is N-[2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-1-amine
PubChem CID79219999
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC NameN-[2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-1-amine
SMILESCCCNCCc1c(C)nn(-c2nc(C)cc(C)n2)c1C
InChIInChI=1S/C16H25N5/c1-6-8-17-9-7-15-13(4)20-21(14(15)5)16-18-11(2)10-12(3)19-16/h10,17H,6-9H2,1-5H3
InChIKeyUYQGPJHABMEFRJ-UHFFFAOYSA-N
XLogP2.44
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Cyclohexyl-(2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl)amine
CID 909822
2-(3,5-dimethyl-1H-pyrazol-1-yl)-N,6-dimethylpyrimidin-4-amine
CID 657722
6-(3,5-Dimethyl-pyrazol-1-yl)-N,N'-diisopropyl-[1,3,5]triazine-2,4-diamine
CID 655127
2-(3,5-Dimethyl-pyrazol-1-YL)-4,6-dimethyl-pyrimidine
CID 3401968
6-(3,5-dimethyl-1H-pyrazol-1-yl)-N,N'-diethyl-1,3,5-triazine-2,4-diamine
CID 785953
2-(3,5-Dimethylpyrazol-1-yl)-4-methyl-6-(4-methylpiperidin-1-yl)pyrimidine
CID 879239
2-[[2-(3,5-Dimethyl-1-pyrazolyl)-6-methyl-4-pyrimidinyl]amino]ethanol
CID 1871516
4-N-butyl-6-methyl-5-(3-pyrazol-1-ylpropyl)pyrimidine-2,4-diamine
CID 135260428
1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-1H-pyrazol-5-amine
CID 2356866
4-(3,5-dimethyl-1H-pyrazol-1-yl)-6-methylpyrimidin-2-amine
CID 742814
2-N,4-N-ditert-butyl-6-(3,5-dimethylpyrazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 879044
N-(tert-butyl)-6-(3,5-dimethyl-1H-pyrazol-1-yl)-N'-isopropyl-1,3,5-triazine-2,4-diamine
CID 6456792

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-1-amine?
The IUPAC name of N-[2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-1-amine (CID 79219999) is N-[2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-1-amine is CCCNCCc1c(C)nn(-c2nc(C)cc(C)n2)c1C.
What is the InChIKey of N-[2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-1-amine?
The InChIKey is UYQGPJHABMEFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c1-6-8-17-9-7-15-13(4)20-21(14(15)5)16-18-11(2)10-12(3)19-16/h10,17H,6-9H2,1-5H3.
What are the key properties of N-[2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-1-amine?
N-[2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-1-amine has a molecular weight of 287.41 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-1-amine is sourced from PubChem (CID 79219999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).