5-fluoro-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]-N-(6-methylsulfonyl-3-pyridinyl)pyrimidin-2-amine

C19H21FN6O3S — CID 91047507

IUPAC5-fluoro-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]-N-(6-methylsulfonyl-3-pyridinyl)pyrimidin-2-amine
SMILESCC1CC(c2ncc(-c3nc(Nc4ccc(S(C)(=O)=O)nc4)ncc3F)[nH]2)CCO1
InChIInChI=1S/C19H21FN6O3S/c1-11-7-12(5-6-29-11)18-22-10-15(25-18)17-14(20)9-23-19(26-17)24-13-3-4-16(21-8-13)30(2,27)28/h3-4,8-12H,5-7H2,1-2H3,(H,22,25)(H,23,24,26)
InChIKeyXBNOUEQOAQVGIR-UHFFFAOYSA-N
MW432.48 g/mol
LogP2.83
Rot. Bonds5

About 5-fluoro-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]-N-(6-methylsulfonyl-3-pyridinyl)pyrimidin-2-amine

5-fluoro-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]-N-(6-methylsulfonyl-3-pyridinyl)pyrimidin-2-amine (PubChem CID 91047507) has the molecular formula C19H21FN6O3S and a molecular weight of 432.48 g/mol. Its IUPAC name is 5-fluoro-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]-N-(6-methylsulfonyl-3-pyridinyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]-N-(6-methylsulfonyl-3-pyridinyl)pyrimidin-2-amine
PubChem CID91047507
Molecular FormulaC19H21FN6O3S
Molecular Weight432.48 g/mol
Exact Mass432.14
IUPAC Name5-fluoro-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]-N-(6-methylsulfonyl-3-pyridinyl)pyrimidin-2-amine
SMILESCC1CC(c2ncc(-c3nc(Nc4ccc(S(C)(=O)=O)nc4)ncc3F)[nH]2)CCO1
InChIInChI=1S/C19H21FN6O3S/c1-11-7-12(5-6-29-11)18-22-10-15(25-18)17-14(20)9-23-19(26-17)24-13-3-4-16(21-8-13)30(2,27)28/h3-4,8-12H,5-7H2,1-2H3,(H,22,25)(H,23,24,26)
InChIKeyXBNOUEQOAQVGIR-UHFFFAOYSA-N
XLogP2.83
TPSA122.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

5-fluoro-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]-N-(3-methylsulfonylphenyl)pyrimidin-2-amine
CID 91448264
4-[[5-fluoro-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]benzonitrile
CID 91238918
5-fluoro-N-[4-(2-methoxyethylsulfonyl)phenyl]-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]pyrimidin-2-amine
CID 91318883
5-fluoro-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]-N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]pyrimidin-2-amine
CID 90964170
2-[[5-[[5-fluoro-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]-2-pyridinyl]methylamino]acetonitrile
CID 91463500
N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-5-fluoro-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]pyrimidin-2-amine
CID 91282704
[4-[[5-fluoro-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]phenyl]-pyridin-2-ylmethanone
CID 91375661
N-[6-[[(6-chloro-3-pyridinyl)methylamino]methyl]-3-pyridinyl]-5-fluoro-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]pyrimidin-2-amine
CID 91178835
(3,3-difluoroazetidin-1-yl)-[4-[[5-fluoro-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]phenyl]methanone
CID 91379090
[2-chloro-4-[[5-fluoro-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 90876614
5-fluoro-4-[2-(6-methyloxan-2-yl)-1H-imidazol-5-yl]-N-[6-(4-methylpiperazin-1-yl)sulfonyl-3-pyridinyl]pyrimidin-2-amine
CID 90814755
5-fluoro-N-[2-fluoro-4-[(3-methylmorpholin-4-yl)methyl]phenyl]-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]pyrimidin-2-amine
CID 91066839

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]-N-(6-methylsulfonyl-3-pyridinyl)pyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]-N-(6-methylsulfonyl-3-pyridinyl)pyrimidin-2-amine (CID 91047507) is 5-fluoro-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]-N-(6-methylsulfonyl-3-pyridinyl)pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]-N-(6-methylsulfonyl-3-pyridinyl)pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]-N-(6-methylsulfonyl-3-pyridinyl)pyrimidin-2-amine is CC1CC(c2ncc(-c3nc(Nc4ccc(S(C)(=O)=O)nc4)ncc3F)[nH]2)CCO1.
What is the InChIKey of 5-fluoro-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]-N-(6-methylsulfonyl-3-pyridinyl)pyrimidin-2-amine?
The InChIKey is XBNOUEQOAQVGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN6O3S/c1-11-7-12(5-6-29-11)18-22-10-15(25-18)17-14(20)9-23-19(26-17)24-13-3-4-16(21-8-13)30(2,27)28/h3-4,8-12H,5-7H2,1-2H3,(H,22,25)(H,23,24,26).
What are the key properties of 5-fluoro-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]-N-(6-methylsulfonyl-3-pyridinyl)pyrimidin-2-amine?
5-fluoro-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]-N-(6-methylsulfonyl-3-pyridinyl)pyrimidin-2-amine has a molecular weight of 432.48 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]-N-(6-methylsulfonyl-3-pyridinyl)pyrimidin-2-amine is sourced from PubChem (CID 91047507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).