N'-[4-(3-ethylphenyl)pyrimidin-2-yl]-N-pyridin-2-ylethane-1,2-diamine

C19H21N5 — CID 70159710

IUPACN'-[4-(3-ethylphenyl)pyrimidin-2-yl]-N-pyridin-2-ylethane-1,2-diamine
SMILESCCc1cccc(-c2ccnc(NCCNc3ccccn3)n2)c1
InChIInChI=1S/C19H21N5/c1-2-15-6-5-7-16(14-15)17-9-11-22-19(24-17)23-13-12-21-18-8-3-4-10-20-18/h3-11,14H,2,12-13H2,1H3,(H,20,21)(H,22,23,24)
InChIKeyFYFCBKPNOSOJRF-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.62
Rot. Bonds7

About N'-[4-(3-ethylphenyl)pyrimidin-2-yl]-N-pyridin-2-ylethane-1,2-diamine

N'-[4-(3-ethylphenyl)pyrimidin-2-yl]-N-pyridin-2-ylethane-1,2-diamine (PubChem CID 70159710) has the molecular formula C19H21N5 and a molecular weight of 319.41 g/mol. Its IUPAC name is N'-[4-(3-ethylphenyl)pyrimidin-2-yl]-N-pyridin-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[4-(3-ethylphenyl)pyrimidin-2-yl]-N-pyridin-2-ylethane-1,2-diamine
PubChem CID70159710
Molecular FormulaC19H21N5
Molecular Weight319.41 g/mol
Exact Mass319.18
IUPAC NameN'-[4-(3-ethylphenyl)pyrimidin-2-yl]-N-pyridin-2-ylethane-1,2-diamine
SMILESCCc1cccc(-c2ccnc(NCCNc3ccccn3)n2)c1
InChIInChI=1S/C19H21N5/c1-2-15-6-5-7-16(14-15)17-9-11-22-19(24-17)23-13-12-21-18-8-3-4-10-20-18/h3-11,14H,2,12-13H2,1H3,(H,20,21)(H,22,23,24)
InChIKeyFYFCBKPNOSOJRF-UHFFFAOYSA-N
XLogP3.62
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.62
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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Frequently Asked Questions

What is the IUPAC name of N'-[4-(3-ethylphenyl)pyrimidin-2-yl]-N-pyridin-2-ylethane-1,2-diamine?
The IUPAC name of N'-[4-(3-ethylphenyl)pyrimidin-2-yl]-N-pyridin-2-ylethane-1,2-diamine (CID 70159710) is N'-[4-(3-ethylphenyl)pyrimidin-2-yl]-N-pyridin-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-[4-(3-ethylphenyl)pyrimidin-2-yl]-N-pyridin-2-ylethane-1,2-diamine?
The canonical SMILES for N'-[4-(3-ethylphenyl)pyrimidin-2-yl]-N-pyridin-2-ylethane-1,2-diamine is CCc1cccc(-c2ccnc(NCCNc3ccccn3)n2)c1.
What is the InChIKey of N'-[4-(3-ethylphenyl)pyrimidin-2-yl]-N-pyridin-2-ylethane-1,2-diamine?
The InChIKey is FYFCBKPNOSOJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5/c1-2-15-6-5-7-16(14-15)17-9-11-22-19(24-17)23-13-12-21-18-8-3-4-10-20-18/h3-11,14H,2,12-13H2,1H3,(H,20,21)(H,22,23,24).
What are the key properties of N'-[4-(3-ethylphenyl)pyrimidin-2-yl]-N-pyridin-2-ylethane-1,2-diamine?
N'-[4-(3-ethylphenyl)pyrimidin-2-yl]-N-pyridin-2-ylethane-1,2-diamine has a molecular weight of 319.41 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(3-ethylphenyl)pyrimidin-2-yl]-N-pyridin-2-ylethane-1,2-diamine is sourced from PubChem (CID 70159710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).