(7S)-2-[[3-(5-fluoropyrimidin-2-yl)oxycyclobutyl]methyl]-4,5,7,8-tetramethyl-7H-pteridin-6-one

C19H23FN6O2 — CID 158850807

IUPAC(7S)-2-[[3-(5-fluoropyrimidin-2-yl)oxycyclobutyl]methyl]-4,5,7,8-tetramethyl-7H-pteridin-6-one
SMILESCc1nc(CC2CC(Oc3ncc(F)cn3)C2)nc2c1N(C)C(=O)[C@H](C)N2C
InChIInChI=1S/C19H23FN6O2/c1-10-16-17(25(3)11(2)18(27)26(16)4)24-15(23-10)7-12-5-14(6-12)28-19-21-8-13(20)9-22-19/h8-9,11-12,14H,5-7H2,1-4H3/t11-,12?,14?/m0/s1
InChIKeyIZKSBFDVXYJCSQ-DCBWTQNWSA-N
MW386.43 g/mol
LogP1.92
Rot. Bonds4

About (7S)-2-[[3-(5-fluoropyrimidin-2-yl)oxycyclobutyl]methyl]-4,5,7,8-tetramethyl-7H-pteridin-6-one

(7S)-2-[[3-(5-fluoropyrimidin-2-yl)oxycyclobutyl]methyl]-4,5,7,8-tetramethyl-7H-pteridin-6-one (PubChem CID 158850807) has the molecular formula C19H23FN6O2 and a molecular weight of 386.43 g/mol. Its IUPAC name is (7S)-2-[[3-(5-fluoropyrimidin-2-yl)oxycyclobutyl]methyl]-4,5,7,8-tetramethyl-7H-pteridin-6-one.

Molecular Properties

Compound Name(7S)-2-[[3-(5-fluoropyrimidin-2-yl)oxycyclobutyl]methyl]-4,5,7,8-tetramethyl-7H-pteridin-6-one
PubChem CID158850807
Molecular FormulaC19H23FN6O2
Molecular Weight386.43 g/mol
Exact Mass386.19
IUPAC Name(7S)-2-[[3-(5-fluoropyrimidin-2-yl)oxycyclobutyl]methyl]-4,5,7,8-tetramethyl-7H-pteridin-6-one
SMILESCc1nc(CC2CC(Oc3ncc(F)cn3)C2)nc2c1N(C)C(=O)[C@H](C)N2C
InChIInChI=1S/C19H23FN6O2/c1-10-16-17(25(3)11(2)18(27)26(16)4)24-15(23-10)7-12-5-14(6-12)28-19-21-8-13(20)9-22-19/h8-9,11-12,14H,5-7H2,1-4H3/t11-,12?,14?/m0/s1
InChIKeyIZKSBFDVXYJCSQ-DCBWTQNWSA-N
XLogP1.92
TPSA84.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (7S)-2-[[3-(5-fluoropyrimidin-2-yl)oxycyclobutyl]methyl]-4,5,7,8-tetramethyl-7H-pteridin-6-one?
The IUPAC name of (7S)-2-[[3-(5-fluoropyrimidin-2-yl)oxycyclobutyl]methyl]-4,5,7,8-tetramethyl-7H-pteridin-6-one (CID 158850807) is (7S)-2-[[3-(5-fluoropyrimidin-2-yl)oxycyclobutyl]methyl]-4,5,7,8-tetramethyl-7H-pteridin-6-one.
What is the SMILES notation for (7S)-2-[[3-(5-fluoropyrimidin-2-yl)oxycyclobutyl]methyl]-4,5,7,8-tetramethyl-7H-pteridin-6-one?
The canonical SMILES for (7S)-2-[[3-(5-fluoropyrimidin-2-yl)oxycyclobutyl]methyl]-4,5,7,8-tetramethyl-7H-pteridin-6-one is Cc1nc(CC2CC(Oc3ncc(F)cn3)C2)nc2c1N(C)C(=O)[C@H](C)N2C.
What is the InChIKey of (7S)-2-[[3-(5-fluoropyrimidin-2-yl)oxycyclobutyl]methyl]-4,5,7,8-tetramethyl-7H-pteridin-6-one?
The InChIKey is IZKSBFDVXYJCSQ-DCBWTQNWSA-N. The full InChI is InChI=1S/C19H23FN6O2/c1-10-16-17(25(3)11(2)18(27)26(16)4)24-15(23-10)7-12-5-14(6-12)28-19-21-8-13(20)9-22-19/h8-9,11-12,14H,5-7H2,1-4H3/t11-,12?,14?/m0/s1.
What are the key properties of (7S)-2-[[3-(5-fluoropyrimidin-2-yl)oxycyclobutyl]methyl]-4,5,7,8-tetramethyl-7H-pteridin-6-one?
(7S)-2-[[3-(5-fluoropyrimidin-2-yl)oxycyclobutyl]methyl]-4,5,7,8-tetramethyl-7H-pteridin-6-one has a molecular weight of 386.43 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-2-[[3-(5-fluoropyrimidin-2-yl)oxycyclobutyl]methyl]-4,5,7,8-tetramethyl-7H-pteridin-6-one is sourced from PubChem (CID 158850807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).