6-(2-amino-3-chloro-4-pyridinyl)-3,6-difluoro-1-(oxan-4-ylmethyl)pyridin-2-amine

C16H19ClF2N4O — CID 67043456

IUPAC6-(2-amino-3-chloro-4-pyridinyl)-3,6-difluoro-1-(oxan-4-ylmethyl)pyridin-2-amine
SMILESNC1=C(F)C=CC(F)(c2ccnc(N)c2Cl)N1CC1CCOCC1
InChIInChI=1S/C16H19ClF2N4O/c17-13-11(2-6-22-14(13)20)16(19)5-1-12(18)15(21)23(16)9-10-3-7-24-8-4-10/h1-2,5-6,10H,3-4,7-9,21H2,(H2,20,22)
InChIKeySEPVUMJENLXNIR-UHFFFAOYSA-N
MW356.80 g/mol
LogP2.84
Rot. Bonds3

About 6-(2-amino-3-chloro-4-pyridinyl)-3,6-difluoro-1-(oxan-4-ylmethyl)pyridin-2-amine

6-(2-amino-3-chloro-4-pyridinyl)-3,6-difluoro-1-(oxan-4-ylmethyl)pyridin-2-amine (PubChem CID 67043456) has the molecular formula C16H19ClF2N4O and a molecular weight of 356.80 g/mol. Its IUPAC name is 6-(2-amino-3-chloro-4-pyridinyl)-3,6-difluoro-1-(oxan-4-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-(2-amino-3-chloro-4-pyridinyl)-3,6-difluoro-1-(oxan-4-ylmethyl)pyridin-2-amine
PubChem CID67043456
Molecular FormulaC16H19ClF2N4O
Molecular Weight356.80 g/mol
Exact Mass356.12
IUPAC Name6-(2-amino-3-chloro-4-pyridinyl)-3,6-difluoro-1-(oxan-4-ylmethyl)pyridin-2-amine
SMILESNC1=C(F)C=CC(F)(c2ccnc(N)c2Cl)N1CC1CCOCC1
InChIInChI=1S/C16H19ClF2N4O/c17-13-11(2-6-22-14(13)20)16(19)5-1-12(18)15(21)23(16)9-10-3-7-24-8-4-10/h1-2,5-6,10H,3-4,7-9,21H2,(H2,20,22)
InChIKeySEPVUMJENLXNIR-UHFFFAOYSA-N
XLogP2.84
TPSA77.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.80
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-3-chloro-4-pyridinyl)-3,6-difluoro-1-(oxan-4-ylmethyl)pyridin-2-amine?
The IUPAC name of 6-(2-amino-3-chloro-4-pyridinyl)-3,6-difluoro-1-(oxan-4-ylmethyl)pyridin-2-amine (CID 67043456) is 6-(2-amino-3-chloro-4-pyridinyl)-3,6-difluoro-1-(oxan-4-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 6-(2-amino-3-chloro-4-pyridinyl)-3,6-difluoro-1-(oxan-4-ylmethyl)pyridin-2-amine?
The canonical SMILES for 6-(2-amino-3-chloro-4-pyridinyl)-3,6-difluoro-1-(oxan-4-ylmethyl)pyridin-2-amine is NC1=C(F)C=CC(F)(c2ccnc(N)c2Cl)N1CC1CCOCC1.
What is the InChIKey of 6-(2-amino-3-chloro-4-pyridinyl)-3,6-difluoro-1-(oxan-4-ylmethyl)pyridin-2-amine?
The InChIKey is SEPVUMJENLXNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClF2N4O/c17-13-11(2-6-22-14(13)20)16(19)5-1-12(18)15(21)23(16)9-10-3-7-24-8-4-10/h1-2,5-6,10H,3-4,7-9,21H2,(H2,20,22).
What are the key properties of 6-(2-amino-3-chloro-4-pyridinyl)-3,6-difluoro-1-(oxan-4-ylmethyl)pyridin-2-amine?
6-(2-amino-3-chloro-4-pyridinyl)-3,6-difluoro-1-(oxan-4-ylmethyl)pyridin-2-amine has a molecular weight of 356.80 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-amino-3-chloro-4-pyridinyl)-3,6-difluoro-1-(oxan-4-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 67043456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).