6-(2-amino-5-chloro-4-pyridinyl)-N-[(4-fluorophenyl)methyl]pyrazin-2-amine

C16H13ClFN5 — CID 67980486

IUPAC6-(2-amino-5-chloro-4-pyridinyl)-N-[(4-fluorophenyl)methyl]pyrazin-2-amine
SMILESNc1cc(-c2cncc(NCc3ccc(F)cc3)n2)c(Cl)cn1
InChIInChI=1S/C16H13ClFN5/c17-13-7-21-15(19)5-12(13)14-8-20-9-16(23-14)22-6-10-1-3-11(18)4-2-10/h1-5,7-9H,6H2,(H2,19,21)(H,22,23)
InChIKeyYFNLNPBIZWEOHR-UHFFFAOYSA-N
MW329.77 g/mol
LogP3.53
Rot. Bonds4

About 6-(2-amino-5-chloro-4-pyridinyl)-N-[(4-fluorophenyl)methyl]pyrazin-2-amine

6-(2-amino-5-chloro-4-pyridinyl)-N-[(4-fluorophenyl)methyl]pyrazin-2-amine (PubChem CID 67980486) has the molecular formula C16H13ClFN5 and a molecular weight of 329.77 g/mol. Its IUPAC name is 6-(2-amino-5-chloro-4-pyridinyl)-N-[(4-fluorophenyl)methyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-(2-amino-5-chloro-4-pyridinyl)-N-[(4-fluorophenyl)methyl]pyrazin-2-amine
PubChem CID67980486
Molecular FormulaC16H13ClFN5
Molecular Weight329.77 g/mol
Exact Mass329.08
IUPAC Name6-(2-amino-5-chloro-4-pyridinyl)-N-[(4-fluorophenyl)methyl]pyrazin-2-amine
SMILESNc1cc(-c2cncc(NCc3ccc(F)cc3)n2)c(Cl)cn1
InChIInChI=1S/C16H13ClFN5/c17-13-7-21-15(19)5-12(13)14-8-20-9-16(23-14)22-6-10-1-3-11(18)4-2-10/h1-5,7-9H,6H2,(H2,19,21)(H,22,23)
InChIKeyYFNLNPBIZWEOHR-UHFFFAOYSA-N
XLogP3.53
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.77
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-fluorophenyl)methyl]-6-hydrazinylpyrazin-2-amine
CID 80944638
6-(2-amino-5-chloro-4-pyridinyl)-N-(oxan-4-ylmethyl)pyrazin-2-amine
CID 67033343
6-(2-chloro-5-fluorophenyl)-N-ethylpyrazin-2-amine
CID 105396176
2-N-[(3,4-difluorophenyl)methyl]pyrazine-2,6-diamine
CID 78988973
2-N-benzylpyrazine-2,6-diamine
CID 70838336
4-N-[(4-fluorophenyl)methyl]-6-hydrazinylpyrimidine-2,4-diamine
CID 80943551
N-[(4-chlorophenyl)methyl]-5-fluoropyridin-2-amine
CID 61313125
2-(5-chloro-3-pyridinyl)-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyrimidin-4-amine
CID 71204068
2-chloro-5-fluoro-N-[(4-fluorophenyl)methyl]pyrimidin-4-amine
CID 79081337
2-N-[(4-fluorophenyl)methyl]quinoline-2,6-diamine
CID 43450871
6-chloro-N-[(2,4-difluorophenyl)methyl]pyrazin-2-amine
CID 62047650
5-chloro-4-[6-[[(2R)-2-hydroxypropyl]amino]pyrazin-2-yl]pyridine-2-carboxamide
CID 67980338

Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-5-chloro-4-pyridinyl)-N-[(4-fluorophenyl)methyl]pyrazin-2-amine?
The IUPAC name of 6-(2-amino-5-chloro-4-pyridinyl)-N-[(4-fluorophenyl)methyl]pyrazin-2-amine (CID 67980486) is 6-(2-amino-5-chloro-4-pyridinyl)-N-[(4-fluorophenyl)methyl]pyrazin-2-amine.
What is the SMILES notation for 6-(2-amino-5-chloro-4-pyridinyl)-N-[(4-fluorophenyl)methyl]pyrazin-2-amine?
The canonical SMILES for 6-(2-amino-5-chloro-4-pyridinyl)-N-[(4-fluorophenyl)methyl]pyrazin-2-amine is Nc1cc(-c2cncc(NCc3ccc(F)cc3)n2)c(Cl)cn1.
What is the InChIKey of 6-(2-amino-5-chloro-4-pyridinyl)-N-[(4-fluorophenyl)methyl]pyrazin-2-amine?
The InChIKey is YFNLNPBIZWEOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN5/c17-13-7-21-15(19)5-12(13)14-8-20-9-16(23-14)22-6-10-1-3-11(18)4-2-10/h1-5,7-9H,6H2,(H2,19,21)(H,22,23).
What are the key properties of 6-(2-amino-5-chloro-4-pyridinyl)-N-[(4-fluorophenyl)methyl]pyrazin-2-amine?
6-(2-amino-5-chloro-4-pyridinyl)-N-[(4-fluorophenyl)methyl]pyrazin-2-amine has a molecular weight of 329.77 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-amino-5-chloro-4-pyridinyl)-N-[(4-fluorophenyl)methyl]pyrazin-2-amine is sourced from PubChem (CID 67980486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).