2-N-[3-[(E)-2-pyrimidin-5-ylethenyl]phenyl]pyridine-2,3-diamine

C17H15N5 — CID 22724451

IUPAC2-N-[3-[(E)-2-pyrimidin-5-ylethenyl]phenyl]pyridine-2,3-diamine
SMILESNc1cccnc1Nc1cccc(/C=C/c2cncnc2)c1
InChIInChI=1S/C17H15N5/c18-16-5-2-8-21-17(16)22-15-4-1-3-13(9-15)6-7-14-10-19-12-20-11-14/h1-12H,18H2,(H,21,22)/b7-6+
InChIKeyIPBPRTAXGQPNBK-VOTSOKGWSA-N
MW289.34 g/mol
LogP3.37
Rot. Bonds4

About 2-N-[3-[(E)-2-pyrimidin-5-ylethenyl]phenyl]pyridine-2,3-diamine

2-N-[3-[(E)-2-pyrimidin-5-ylethenyl]phenyl]pyridine-2,3-diamine (PubChem CID 22724451) has the molecular formula C17H15N5 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-N-[3-[(E)-2-pyrimidin-5-ylethenyl]phenyl]pyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-[3-[(E)-2-pyrimidin-5-ylethenyl]phenyl]pyridine-2,3-diamine
PubChem CID22724451
Molecular FormulaC17H15N5
Molecular Weight289.34 g/mol
Exact Mass289.13
IUPAC Name2-N-[3-[(E)-2-pyrimidin-5-ylethenyl]phenyl]pyridine-2,3-diamine
SMILESNc1cccnc1Nc1cccc(/C=C/c2cncnc2)c1
InChIInChI=1S/C17H15N5/c18-16-5-2-8-21-17(16)22-15-4-1-3-13(9-15)6-7-14-10-19-12-20-11-14/h1-12H,18H2,(H,21,22)/b7-6+
InChIKeyIPBPRTAXGQPNBK-VOTSOKGWSA-N
XLogP3.37
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-[3-[(E)-2-pyrimidin-5-ylethenyl]phenyl]pyridine-2,3-diamine?
The IUPAC name of 2-N-[3-[(E)-2-pyrimidin-5-ylethenyl]phenyl]pyridine-2,3-diamine (CID 22724451) is 2-N-[3-[(E)-2-pyrimidin-5-ylethenyl]phenyl]pyridine-2,3-diamine.
What is the SMILES notation for 2-N-[3-[(E)-2-pyrimidin-5-ylethenyl]phenyl]pyridine-2,3-diamine?
The canonical SMILES for 2-N-[3-[(E)-2-pyrimidin-5-ylethenyl]phenyl]pyridine-2,3-diamine is Nc1cccnc1Nc1cccc(/C=C/c2cncnc2)c1.
What is the InChIKey of 2-N-[3-[(E)-2-pyrimidin-5-ylethenyl]phenyl]pyridine-2,3-diamine?
The InChIKey is IPBPRTAXGQPNBK-VOTSOKGWSA-N. The full InChI is InChI=1S/C17H15N5/c18-16-5-2-8-21-17(16)22-15-4-1-3-13(9-15)6-7-14-10-19-12-20-11-14/h1-12H,18H2,(H,21,22)/b7-6+.
What are the key properties of 2-N-[3-[(E)-2-pyrimidin-5-ylethenyl]phenyl]pyridine-2,3-diamine?
2-N-[3-[(E)-2-pyrimidin-5-ylethenyl]phenyl]pyridine-2,3-diamine has a molecular weight of 289.34 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-[(E)-2-pyrimidin-5-ylethenyl]phenyl]pyridine-2,3-diamine is sourced from PubChem (CID 22724451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).