3-amino-N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]pyrazine-2-carboxamide

C15H14F3N7O2 — CID 71274021

IUPAC3-amino-N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]pyrazine-2-carboxamide
SMILESC[C@]1(c2nc(NC(=O)c3nccnc3N)ccc2F)N=C(N)OCC1(F)F
InChIInChI=1S/C15H14F3N7O2/c1-14(15(17,18)6-27-13(20)25-14)10-7(16)2-3-8(23-10)24-12(26)9-11(19)22-5-4-21-9/h2-5H,6H2,1H3,(H2,19,22)(H2,20,25)(H,23,24,26)/t14-/m1/s1
InChIKeyYJPIAQRBQQFOPC-CQSZACIVSA-N
MW381.32 g/mol
LogP1.04
Rot. Bonds3

About 3-amino-N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]pyrazine-2-carboxamide

3-amino-N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]pyrazine-2-carboxamide (PubChem CID 71274021) has the molecular formula C15H14F3N7O2 and a molecular weight of 381.32 g/mol. Its IUPAC name is 3-amino-N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]pyrazine-2-carboxamide
PubChem CID71274021
Molecular FormulaC15H14F3N7O2
Molecular Weight381.32 g/mol
Exact Mass381.12
IUPAC Name3-amino-N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]pyrazine-2-carboxamide
SMILESC[C@]1(c2nc(NC(=O)c3nccnc3N)ccc2F)N=C(N)OCC1(F)F
InChIInChI=1S/C15H14F3N7O2/c1-14(15(17,18)6-27-13(20)25-14)10-7(16)2-3-8(23-10)24-12(26)9-11(19)22-5-4-21-9/h2-5H,6H2,1H3,(H2,19,22)(H2,20,25)(H,23,24,26)/t14-/m1/s1
InChIKeyYJPIAQRBQQFOPC-CQSZACIVSA-N
XLogP1.04
TPSA141.40 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.32
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]pyrazine-2-carboxamide (CID 71274021) is 3-amino-N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]pyrazine-2-carboxamide is C[C@]1(c2nc(NC(=O)c3nccnc3N)ccc2F)N=C(N)OCC1(F)F.
What is the InChIKey of 3-amino-N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]pyrazine-2-carboxamide?
The InChIKey is YJPIAQRBQQFOPC-CQSZACIVSA-N. The full InChI is InChI=1S/C15H14F3N7O2/c1-14(15(17,18)6-27-13(20)25-14)10-7(16)2-3-8(23-10)24-12(26)9-11(19)22-5-4-21-9/h2-5H,6H2,1H3,(H2,19,22)(H2,20,25)(H,23,24,26)/t14-/m1/s1.
What are the key properties of 3-amino-N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]pyrazine-2-carboxamide?
3-amino-N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]pyrazine-2-carboxamide has a molecular weight of 381.32 g/mol, XLogP of 1.04, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]pyrazine-2-carboxamide is sourced from PubChem (CID 71274021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).