N-[2-(2-imidazol-1-ylpyrimidin-4-yl)ethyl]-3-pyridin-3-ylpropan-1-amine

C17H20N6 — CID 118656419

IUPACN-[2-(2-imidazol-1-ylpyrimidin-4-yl)ethyl]-3-pyridin-3-ylpropan-1-amine
SMILESc1cncc(CCCNCCc2ccnc(-n3ccnc3)n2)c1
InChIInChI=1S/C17H20N6/c1(3-15-4-2-8-19-13-15)7-18-9-5-16-6-10-21-17(22-16)23-12-11-20-14-23/h2,4,6,8,10-14,18H,1,3,5,7,9H2
InChIKeyXOWPXRYZDHLBEA-UHFFFAOYSA-N
MW308.39 g/mol
LogP1.82
Rot. Bonds8

About N-[2-(2-imidazol-1-ylpyrimidin-4-yl)ethyl]-3-pyridin-3-ylpropan-1-amine

N-[2-(2-imidazol-1-ylpyrimidin-4-yl)ethyl]-3-pyridin-3-ylpropan-1-amine (PubChem CID 118656419) has the molecular formula C17H20N6 and a molecular weight of 308.39 g/mol. Its IUPAC name is N-[2-(2-imidazol-1-ylpyrimidin-4-yl)ethyl]-3-pyridin-3-ylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(2-imidazol-1-ylpyrimidin-4-yl)ethyl]-3-pyridin-3-ylpropan-1-amine
PubChem CID118656419
Molecular FormulaC17H20N6
Molecular Weight308.39 g/mol
Exact Mass308.17
IUPAC NameN-[2-(2-imidazol-1-ylpyrimidin-4-yl)ethyl]-3-pyridin-3-ylpropan-1-amine
SMILESc1cncc(CCCNCCc2ccnc(-n3ccnc3)n2)c1
InChIInChI=1S/C17H20N6/c1(3-15-4-2-8-19-13-15)7-18-9-5-16-6-10-21-17(22-16)23-12-11-20-14-23/h2,4,6,8,10-14,18H,1,3,5,7,9H2
InChIKeyXOWPXRYZDHLBEA-UHFFFAOYSA-N
XLogP1.82
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-imidazol-1-ylpyrimidin-4-yl)ethyl]-3-pyridin-3-ylpropan-1-amine?
The IUPAC name of N-[2-(2-imidazol-1-ylpyrimidin-4-yl)ethyl]-3-pyridin-3-ylpropan-1-amine (CID 118656419) is N-[2-(2-imidazol-1-ylpyrimidin-4-yl)ethyl]-3-pyridin-3-ylpropan-1-amine.
What is the SMILES notation for N-[2-(2-imidazol-1-ylpyrimidin-4-yl)ethyl]-3-pyridin-3-ylpropan-1-amine?
The canonical SMILES for N-[2-(2-imidazol-1-ylpyrimidin-4-yl)ethyl]-3-pyridin-3-ylpropan-1-amine is c1cncc(CCCNCCc2ccnc(-n3ccnc3)n2)c1.
What is the InChIKey of N-[2-(2-imidazol-1-ylpyrimidin-4-yl)ethyl]-3-pyridin-3-ylpropan-1-amine?
The InChIKey is XOWPXRYZDHLBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6/c1(3-15-4-2-8-19-13-15)7-18-9-5-16-6-10-21-17(22-16)23-12-11-20-14-23/h2,4,6,8,10-14,18H,1,3,5,7,9H2.
What are the key properties of N-[2-(2-imidazol-1-ylpyrimidin-4-yl)ethyl]-3-pyridin-3-ylpropan-1-amine?
N-[2-(2-imidazol-1-ylpyrimidin-4-yl)ethyl]-3-pyridin-3-ylpropan-1-amine has a molecular weight of 308.39 g/mol, XLogP of 1.82, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-imidazol-1-ylpyrimidin-4-yl)ethyl]-3-pyridin-3-ylpropan-1-amine is sourced from PubChem (CID 118656419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).