N-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-1-amine

C14H20ClN5 — CID 83189101

IUPACN-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(-n2nc(C)c(Cl)c2C)nc1C
InChIInChI=1S/C14H20ClN5/c1-5-6-16-7-12-8-17-14(18-9(12)2)20-11(4)13(15)10(3)19-20/h8,16H,5-7H2,1-4H3
InChIKeyWQFHADJGNOELEW-UHFFFAOYSA-N
MW293.80 g/mol
LogP2.74
Rot. Bonds5

About N-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-1-amine

N-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-1-amine (PubChem CID 83189101) has the molecular formula C14H20ClN5 and a molecular weight of 293.80 g/mol. Its IUPAC name is N-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
PubChem CID83189101
Molecular FormulaC14H20ClN5
Molecular Weight293.80 g/mol
Exact Mass293.14
IUPAC NameN-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(-n2nc(C)c(Cl)c2C)nc1C
InChIInChI=1S/C14H20ClN5/c1-5-6-16-7-12-8-17-14(18-9(12)2)20-11(4)13(15)10(3)19-20/h8,16H,5-7H2,1-4H3
InChIKeyWQFHADJGNOELEW-UHFFFAOYSA-N
XLogP2.74
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-1-amine with MolForge

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Related Compounds

N-[[4-methyl-2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]methyl]ethanamine
CID 83188803
N-[[5-bromo-2-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62294110
N-[(2-imidazol-1-yl-4-methylpyrimidin-5-yl)methyl]propan-1-amine
CID 83189637
N-[[2-(4-ethylpiperazin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
CID 83185152
N-methyl-1-[4-methyl-2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]methanamine
CID 83189032
N-[[2-(3,5-dimethylpyrazol-1-yl)-4-methylpyrimidin-5-yl]methyl]ethanamine
CID 83189794
1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine
CID 83189411
N-[[4-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]methyl]propan-1-amine
CID 103503036
N-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 62295333
N-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
CID 83185621
1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-5-yl]-N-methylmethanamine
CID 114216739
N-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
CID 83185190

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-1-amine (CID 83189101) is N-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-1-amine is CCCNCc1cnc(-n2nc(C)c(Cl)c2C)nc1C.
What is the InChIKey of N-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-1-amine?
The InChIKey is WQFHADJGNOELEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN5/c1-5-6-16-7-12-8-17-14(18-9(12)2)20-11(4)13(15)10(3)19-20/h8,16H,5-7H2,1-4H3.
What are the key properties of N-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-1-amine?
N-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-1-amine has a molecular weight of 293.80 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 83189101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).