1-[5-(6-amino-2-methylpyrimidin-4-yl)-6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]ethanone

C18H17FN6O2 — CID 66600354

IUPAC1-[5-(6-amino-2-methylpyrimidin-4-yl)-6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]ethanone
SMILESCOc1ncc(Nc2ncc(C(C)=O)cc2-c2cc(N)nc(C)n2)cc1F
InChIInChI=1S/C18H17FN6O2/c1-9(26)11-4-13(15-6-16(20)24-10(2)23-15)17(21-7-11)25-12-5-14(19)18(27-3)22-8-12/h4-8H,1-3H3,(H,21,25)(H2,20,23,24)
InChIKeyHHWILPGCXQWOKG-UHFFFAOYSA-N
MW368.37 g/mol
LogP2.92
Rot. Bonds5

About 1-[5-(6-amino-2-methylpyrimidin-4-yl)-6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]ethanone

1-[5-(6-amino-2-methylpyrimidin-4-yl)-6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]ethanone (PubChem CID 66600354) has the molecular formula C18H17FN6O2 and a molecular weight of 368.37 g/mol. Its IUPAC name is 1-[5-(6-amino-2-methylpyrimidin-4-yl)-6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[5-(6-amino-2-methylpyrimidin-4-yl)-6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]ethanone
PubChem CID66600354
Molecular FormulaC18H17FN6O2
Molecular Weight368.37 g/mol
Exact Mass368.14
IUPAC Name1-[5-(6-amino-2-methylpyrimidin-4-yl)-6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]ethanone
SMILESCOc1ncc(Nc2ncc(C(C)=O)cc2-c2cc(N)nc(C)n2)cc1F
InChIInChI=1S/C18H17FN6O2/c1-9(26)11-4-13(15-6-16(20)24-10(2)23-15)17(21-7-11)25-12-5-14(19)18(27-3)22-8-12/h4-8H,1-3H3,(H,21,25)(H2,20,23,24)
InChIKeyHHWILPGCXQWOKG-UHFFFAOYSA-N
XLogP2.92
TPSA115.91 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(6-amino-2-methylpyrimidin-4-yl)-6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]ethanone?
The IUPAC name of 1-[5-(6-amino-2-methylpyrimidin-4-yl)-6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]ethanone (CID 66600354) is 1-[5-(6-amino-2-methylpyrimidin-4-yl)-6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[5-(6-amino-2-methylpyrimidin-4-yl)-6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]ethanone?
The canonical SMILES for 1-[5-(6-amino-2-methylpyrimidin-4-yl)-6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]ethanone is COc1ncc(Nc2ncc(C(C)=O)cc2-c2cc(N)nc(C)n2)cc1F.
What is the InChIKey of 1-[5-(6-amino-2-methylpyrimidin-4-yl)-6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]ethanone?
The InChIKey is HHWILPGCXQWOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN6O2/c1-9(26)11-4-13(15-6-16(20)24-10(2)23-15)17(21-7-11)25-12-5-14(19)18(27-3)22-8-12/h4-8H,1-3H3,(H,21,25)(H2,20,23,24).
What are the key properties of 1-[5-(6-amino-2-methylpyrimidin-4-yl)-6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]ethanone?
1-[5-(6-amino-2-methylpyrimidin-4-yl)-6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]ethanone has a molecular weight of 368.37 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(6-amino-2-methylpyrimidin-4-yl)-6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]ethanone is sourced from PubChem (CID 66600354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).