6-(3-fluoro-4-pyridinyl)-3-methyl-2-[methyl-[(1S,5R)-3-propanoyl-3-azabicyclo[3.1.0]hexan-6-yl]amino]pyrimidin-4-one

C19H22FN5O2 — CID 59576988

IUPAC6-(3-fluoro-4-pyridinyl)-3-methyl-2-[methyl-[(1S,5R)-3-propanoyl-3-azabicyclo[3.1.0]hexan-6-yl]amino]pyrimidin-4-one
SMILESCCC(=O)N1C[C@@H]2C(N(C)c3nc(-c4ccncc4F)cc(=O)n3C)[C@@H]2C1
InChIInChI=1S/C19H22FN5O2/c1-4-16(26)25-9-12-13(10-25)18(12)24(3)19-22-15(7-17(27)23(19)2)11-5-6-21-8-14(11)20/h5-8,12-13,18H,4,9-10H2,1-3H3/t12-,13+,18?
InChIKeyROGKXZWBYYXIOK-NCNPBXTDSA-N
MW371.42 g/mol
LogP1.28
Rot. Bonds4

About 6-(3-fluoro-4-pyridinyl)-3-methyl-2-[methyl-[(1S,5R)-3-propanoyl-3-azabicyclo[3.1.0]hexan-6-yl]amino]pyrimidin-4-one

6-(3-fluoro-4-pyridinyl)-3-methyl-2-[methyl-[(1S,5R)-3-propanoyl-3-azabicyclo[3.1.0]hexan-6-yl]amino]pyrimidin-4-one (PubChem CID 59576988) has the molecular formula C19H22FN5O2 and a molecular weight of 371.42 g/mol. Its IUPAC name is 6-(3-fluoro-4-pyridinyl)-3-methyl-2-[methyl-[(1S,5R)-3-propanoyl-3-azabicyclo[3.1.0]hexan-6-yl]amino]pyrimidin-4-one.

Molecular Properties

Compound Name6-(3-fluoro-4-pyridinyl)-3-methyl-2-[methyl-[(1S,5R)-3-propanoyl-3-azabicyclo[3.1.0]hexan-6-yl]amino]pyrimidin-4-one
PubChem CID59576988
Molecular FormulaC19H22FN5O2
Molecular Weight371.42 g/mol
Exact Mass371.18
IUPAC Name6-(3-fluoro-4-pyridinyl)-3-methyl-2-[methyl-[(1S,5R)-3-propanoyl-3-azabicyclo[3.1.0]hexan-6-yl]amino]pyrimidin-4-one
SMILESCCC(=O)N1C[C@@H]2C(N(C)c3nc(-c4ccncc4F)cc(=O)n3C)[C@@H]2C1
InChIInChI=1S/C19H22FN5O2/c1-4-16(26)25-9-12-13(10-25)18(12)24(3)19-22-15(7-17(27)23(19)2)11-5-6-21-8-14(11)20/h5-8,12-13,18H,4,9-10H2,1-3H3/t12-,13+,18?
InChIKeyROGKXZWBYYXIOK-NCNPBXTDSA-N
XLogP1.28
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-(3-fluoro-4-pyridinyl)-3-methyl-2-[methyl-[(1S,5R)-3-propanoyl-3-azabicyclo[3.1.0]hexan-6-yl]amino]pyrimidin-4-one with MolForge

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Related Compounds

6-(3-fluoro-4-pyridinyl)-3-methyl-2-[methyl-[(1R,5S)-3-(4-methylbenzoyl)-3-azabicyclo[3.1.0]hexan-6-yl]amino]pyrimidin-4-one
CID 59576742
2-[[(1S,5R)-3-(3-fluoro-4-methylbenzoyl)-3-azabicyclo[3.1.0]hexan-6-yl]-methylamino]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one
CID 59576795
6-(3-fluoro-4-pyridinyl)-3-methyl-2-[methyl-[(1R,5S)-3-(3-methylbenzoyl)-3-azabicyclo[3.1.0]hexan-6-yl]amino]pyrimidin-4-one
CID 59576932
2-[[(1R,5S)-3-(2-chloropyridine-4-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]-methylamino]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one
CID 59576997
[1-[(1S,5R)-6-[[4-(3-fluoro-4-pyridinyl)-1-methyl-6-oxopyrimidin-2-yl]-methylamino]-3-azabicyclo[3.1.0]hexan-3-yl]-1-oxopropan-2-yl] acetate
CID 67426578
4-[(1R,5S)-6-[[4-(3-fluoro-4-pyridinyl)-1-methyl-6-oxopyrimidin-2-yl]-methylamino]-3-azabicyclo[3.1.0]hexane-3-carbonyl]benzonitrile
CID 59576882
2-[[(1S,5R)-3-(2,5-dimethylfuran-3-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]-methylamino]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one
CID 59576917
2-[[(1S,5R)-3-(2-ethylimidazo[1,2-b]pyridazin-6-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-methylamino]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one
CID 59576956
2-[[(1S,5R)-3-(1,3-benzoxazol-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-methylamino]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one
CID 59576755
2-(dimethylamino)-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one
CID 71128887
2-[[(1S,5R)-3-(1-cyclopentyltetrazol-5-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-methylamino]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one
CID 59576864
2-[[3-(2,3-difluorobenzoyl)-3-azabicyclo[3.1.0]hexan-6-yl]methylamino]-6-(3-fluoro-4-pyridinyl)-3-methylpyrimidin-4-one
CID 140556802

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoro-4-pyridinyl)-3-methyl-2-[methyl-[(1S,5R)-3-propanoyl-3-azabicyclo[3.1.0]hexan-6-yl]amino]pyrimidin-4-one?
The IUPAC name of 6-(3-fluoro-4-pyridinyl)-3-methyl-2-[methyl-[(1S,5R)-3-propanoyl-3-azabicyclo[3.1.0]hexan-6-yl]amino]pyrimidin-4-one (CID 59576988) is 6-(3-fluoro-4-pyridinyl)-3-methyl-2-[methyl-[(1S,5R)-3-propanoyl-3-azabicyclo[3.1.0]hexan-6-yl]amino]pyrimidin-4-one.
What is the SMILES notation for 6-(3-fluoro-4-pyridinyl)-3-methyl-2-[methyl-[(1S,5R)-3-propanoyl-3-azabicyclo[3.1.0]hexan-6-yl]amino]pyrimidin-4-one?
The canonical SMILES for 6-(3-fluoro-4-pyridinyl)-3-methyl-2-[methyl-[(1S,5R)-3-propanoyl-3-azabicyclo[3.1.0]hexan-6-yl]amino]pyrimidin-4-one is CCC(=O)N1C[C@@H]2C(N(C)c3nc(-c4ccncc4F)cc(=O)n3C)[C@@H]2C1.
What is the InChIKey of 6-(3-fluoro-4-pyridinyl)-3-methyl-2-[methyl-[(1S,5R)-3-propanoyl-3-azabicyclo[3.1.0]hexan-6-yl]amino]pyrimidin-4-one?
The InChIKey is ROGKXZWBYYXIOK-NCNPBXTDSA-N. The full InChI is InChI=1S/C19H22FN5O2/c1-4-16(26)25-9-12-13(10-25)18(12)24(3)19-22-15(7-17(27)23(19)2)11-5-6-21-8-14(11)20/h5-8,12-13,18H,4,9-10H2,1-3H3/t12-,13+,18?.
What are the key properties of 6-(3-fluoro-4-pyridinyl)-3-methyl-2-[methyl-[(1S,5R)-3-propanoyl-3-azabicyclo[3.1.0]hexan-6-yl]amino]pyrimidin-4-one?
6-(3-fluoro-4-pyridinyl)-3-methyl-2-[methyl-[(1S,5R)-3-propanoyl-3-azabicyclo[3.1.0]hexan-6-yl]amino]pyrimidin-4-one has a molecular weight of 371.42 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoro-4-pyridinyl)-3-methyl-2-[methyl-[(1S,5R)-3-propanoyl-3-azabicyclo[3.1.0]hexan-6-yl]amino]pyrimidin-4-one is sourced from PubChem (CID 59576988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).