6-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-5-[(1R)-1-morpholin-4-ylethyl]-3-pyridinyl]-2-methylpyrimidin-4-amine

C22H26FN7O2 — CID 59548330

IUPAC6-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-5-[(1R)-1-morpholin-4-ylethyl]-3-pyridinyl]-2-methylpyrimidin-4-amine
SMILESCOc1ncc(Nc2ncc([C@@H](C)N3CCOCC3)cc2-c2cc(N)nc(C)n2)cc1F
InChIInChI=1S/C22H26FN7O2/c1-13(30-4-6-32-7-5-30)15-8-17(19-10-20(24)28-14(2)27-19)21(25-11-15)29-16-9-18(23)22(31-3)26-12-16/h8-13H,4-7H2,1-3H3,(H,25,29)(H2,24,27,28)/t13-/m1/s1
InChIKeyDODICWVNTJJJPT-CYBMUJFWSA-N
MW439.50 g/mol
LogP3.11
Rot. Bonds6

About 6-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-5-[(1R)-1-morpholin-4-ylethyl]-3-pyridinyl]-2-methylpyrimidin-4-amine

6-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-5-[(1R)-1-morpholin-4-ylethyl]-3-pyridinyl]-2-methylpyrimidin-4-amine (PubChem CID 59548330) has the molecular formula C22H26FN7O2 and a molecular weight of 439.50 g/mol. Its IUPAC name is 6-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-5-[(1R)-1-morpholin-4-ylethyl]-3-pyridinyl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-5-[(1R)-1-morpholin-4-ylethyl]-3-pyridinyl]-2-methylpyrimidin-4-amine
PubChem CID59548330
Molecular FormulaC22H26FN7O2
Molecular Weight439.50 g/mol
Exact Mass439.21
IUPAC Name6-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-5-[(1R)-1-morpholin-4-ylethyl]-3-pyridinyl]-2-methylpyrimidin-4-amine
SMILESCOc1ncc(Nc2ncc([C@@H](C)N3CCOCC3)cc2-c2cc(N)nc(C)n2)cc1F
InChIInChI=1S/C22H26FN7O2/c1-13(30-4-6-32-7-5-30)15-8-17(19-10-20(24)28-14(2)27-19)21(25-11-15)29-16-9-18(23)22(31-3)26-12-16/h8-13H,4-7H2,1-3H3,(H,25,29)(H2,24,27,28)/t13-/m1/s1
InChIKeyDODICWVNTJJJPT-CYBMUJFWSA-N
XLogP3.11
TPSA111.31 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.50
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-5-[(1R)-1-morpholin-4-ylethyl]-3-pyridinyl]-2-methylpyrimidin-4-amine?
The IUPAC name of 6-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-5-[(1R)-1-morpholin-4-ylethyl]-3-pyridinyl]-2-methylpyrimidin-4-amine (CID 59548330) is 6-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-5-[(1R)-1-morpholin-4-ylethyl]-3-pyridinyl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-5-[(1R)-1-morpholin-4-ylethyl]-3-pyridinyl]-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-5-[(1R)-1-morpholin-4-ylethyl]-3-pyridinyl]-2-methylpyrimidin-4-amine is COc1ncc(Nc2ncc([C@@H](C)N3CCOCC3)cc2-c2cc(N)nc(C)n2)cc1F.
What is the InChIKey of 6-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-5-[(1R)-1-morpholin-4-ylethyl]-3-pyridinyl]-2-methylpyrimidin-4-amine?
The InChIKey is DODICWVNTJJJPT-CYBMUJFWSA-N. The full InChI is InChI=1S/C22H26FN7O2/c1-13(30-4-6-32-7-5-30)15-8-17(19-10-20(24)28-14(2)27-19)21(25-11-15)29-16-9-18(23)22(31-3)26-12-16/h8-13H,4-7H2,1-3H3,(H,25,29)(H2,24,27,28)/t13-/m1/s1.
What are the key properties of 6-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-5-[(1R)-1-morpholin-4-ylethyl]-3-pyridinyl]-2-methylpyrimidin-4-amine?
6-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-5-[(1R)-1-morpholin-4-ylethyl]-3-pyridinyl]-2-methylpyrimidin-4-amine has a molecular weight of 439.50 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-5-[(1R)-1-morpholin-4-ylethyl]-3-pyridinyl]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 59548330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).