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

C18H22FN7O2 — CID 146194158

IUPAC(7S)-2-[[3-(5-fluoropyrimidin-2-yl)oxycyclobutyl]amino]-4,5,7,8-tetramethyl-7H-pteridin-6-one
SMILESCc1nc(NC2CC(Oc3ncc(F)cn3)C2)nc2c1N(C)C(=O)[C@H](C)N2C
InChIInChI=1S/C18H22FN7O2/c1-9-14-15(25(3)10(2)16(27)26(14)4)24-17(22-9)23-12-5-13(6-12)28-18-20-7-11(19)8-21-18/h7-8,10,12-13H,5-6H2,1-4H3,(H,22,23,24)/t10-,12?,13?/m0/s1
InChIKeyFDWDBTKYMMWUHV-PKSQDBQZSA-N
MW387.42 g/mol
LogP1.54
Rot. Bonds4

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

(7S)-2-[[3-(5-fluoropyrimidin-2-yl)oxycyclobutyl]amino]-4,5,7,8-tetramethyl-7H-pteridin-6-one (PubChem CID 146194158) has the molecular formula C18H22FN7O2 and a molecular weight of 387.42 g/mol. Its IUPAC name is (7S)-2-[[3-(5-fluoropyrimidin-2-yl)oxycyclobutyl]amino]-4,5,7,8-tetramethyl-7H-pteridin-6-one.

Molecular Properties

Compound Name(7S)-2-[[3-(5-fluoropyrimidin-2-yl)oxycyclobutyl]amino]-4,5,7,8-tetramethyl-7H-pteridin-6-one
PubChem CID146194158
Molecular FormulaC18H22FN7O2
Molecular Weight387.42 g/mol
Exact Mass387.18
IUPAC Name(7S)-2-[[3-(5-fluoropyrimidin-2-yl)oxycyclobutyl]amino]-4,5,7,8-tetramethyl-7H-pteridin-6-one
SMILESCc1nc(NC2CC(Oc3ncc(F)cn3)C2)nc2c1N(C)C(=O)[C@H](C)N2C
InChIInChI=1S/C18H22FN7O2/c1-9-14-15(25(3)10(2)16(27)26(14)4)24-17(22-9)23-12-5-13(6-12)28-18-20-7-11(19)8-21-18/h7-8,10,12-13H,5-6H2,1-4H3,(H,22,23,24)/t10-,12?,13?/m0/s1
InChIKeyFDWDBTKYMMWUHV-PKSQDBQZSA-N
XLogP1.54
TPSA96.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (7S)-2-[[3-(5-fluoropyrimidin-2-yl)oxycyclobutyl]amino]-4,5,7,8-tetramethyl-7H-pteridin-6-one?
The IUPAC name of (7S)-2-[[3-(5-fluoropyrimidin-2-yl)oxycyclobutyl]amino]-4,5,7,8-tetramethyl-7H-pteridin-6-one (CID 146194158) is (7S)-2-[[3-(5-fluoropyrimidin-2-yl)oxycyclobutyl]amino]-4,5,7,8-tetramethyl-7H-pteridin-6-one.
What is the SMILES notation for (7S)-2-[[3-(5-fluoropyrimidin-2-yl)oxycyclobutyl]amino]-4,5,7,8-tetramethyl-7H-pteridin-6-one?
The canonical SMILES for (7S)-2-[[3-(5-fluoropyrimidin-2-yl)oxycyclobutyl]amino]-4,5,7,8-tetramethyl-7H-pteridin-6-one is Cc1nc(NC2CC(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]amino]-4,5,7,8-tetramethyl-7H-pteridin-6-one?
The InChIKey is FDWDBTKYMMWUHV-PKSQDBQZSA-N. The full InChI is InChI=1S/C18H22FN7O2/c1-9-14-15(25(3)10(2)16(27)26(14)4)24-17(22-9)23-12-5-13(6-12)28-18-20-7-11(19)8-21-18/h7-8,10,12-13H,5-6H2,1-4H3,(H,22,23,24)/t10-,12?,13?/m0/s1.
What are the key properties of (7S)-2-[[3-(5-fluoropyrimidin-2-yl)oxycyclobutyl]amino]-4,5,7,8-tetramethyl-7H-pteridin-6-one?
(7S)-2-[[3-(5-fluoropyrimidin-2-yl)oxycyclobutyl]amino]-4,5,7,8-tetramethyl-7H-pteridin-6-one has a molecular weight of 387.42 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-2-[[3-(5-fluoropyrimidin-2-yl)oxycyclobutyl]amino]-4,5,7,8-tetramethyl-7H-pteridin-6-one is sourced from PubChem (CID 146194158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).