(7S)-2-[[3-(5-fluoropyrimidin-2-yl)oxycyclobutyl]methyl]-4,7,8-trimethyl-5,7-dihydropteridin-6-one

C18H21FN6O2 — CID 159972373

IUPAC(7S)-2-[[3-(5-fluoropyrimidin-2-yl)oxycyclobutyl]methyl]-4,7,8-trimethyl-5,7-dihydropteridin-6-one
SMILESCc1nc(CC2CC(Oc3ncc(F)cn3)C2)nc2c1NC(=O)[C@H](C)N2C
InChIInChI=1S/C18H21FN6O2/c1-9-15-16(25(3)10(2)17(26)24-15)23-14(22-9)6-11-4-13(5-11)27-18-20-7-12(19)8-21-18/h7-8,10-11,13H,4-6H2,1-3H3,(H,24,26)/t10-,11?,13?/m0/s1
InChIKeyOESGHJIWOHXJLP-ZBOXLXRLSA-N
MW372.40 g/mol
LogP1.89
Rot. Bonds4

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

(7S)-2-[[3-(5-fluoropyrimidin-2-yl)oxycyclobutyl]methyl]-4,7,8-trimethyl-5,7-dihydropteridin-6-one (PubChem CID 159972373) has the molecular formula C18H21FN6O2 and a molecular weight of 372.40 g/mol. Its IUPAC name is (7S)-2-[[3-(5-fluoropyrimidin-2-yl)oxycyclobutyl]methyl]-4,7,8-trimethyl-5,7-dihydropteridin-6-one.

Molecular Properties

Compound Name(7S)-2-[[3-(5-fluoropyrimidin-2-yl)oxycyclobutyl]methyl]-4,7,8-trimethyl-5,7-dihydropteridin-6-one
PubChem CID159972373
Molecular FormulaC18H21FN6O2
Molecular Weight372.40 g/mol
Exact Mass372.17
IUPAC Name(7S)-2-[[3-(5-fluoropyrimidin-2-yl)oxycyclobutyl]methyl]-4,7,8-trimethyl-5,7-dihydropteridin-6-one
SMILESCc1nc(CC2CC(Oc3ncc(F)cn3)C2)nc2c1NC(=O)[C@H](C)N2C
InChIInChI=1S/C18H21FN6O2/c1-9-15-16(25(3)10(2)17(26)24-15)23-14(22-9)6-11-4-13(5-11)27-18-20-7-12(19)8-21-18/h7-8,10-11,13H,4-6H2,1-3H3,(H,24,26)/t10-,11?,13?/m0/s1
InChIKeyOESGHJIWOHXJLP-ZBOXLXRLSA-N
XLogP1.89
TPSA93.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 51.89
H-Bond Donors ≤ 51
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]-4,7,8-trimethyl-5,7-dihydropteridin-6-one?
The IUPAC name of (7S)-2-[[3-(5-fluoropyrimidin-2-yl)oxycyclobutyl]methyl]-4,7,8-trimethyl-5,7-dihydropteridin-6-one (CID 159972373) is (7S)-2-[[3-(5-fluoropyrimidin-2-yl)oxycyclobutyl]methyl]-4,7,8-trimethyl-5,7-dihydropteridin-6-one.
What is the SMILES notation for (7S)-2-[[3-(5-fluoropyrimidin-2-yl)oxycyclobutyl]methyl]-4,7,8-trimethyl-5,7-dihydropteridin-6-one?
The canonical SMILES for (7S)-2-[[3-(5-fluoropyrimidin-2-yl)oxycyclobutyl]methyl]-4,7,8-trimethyl-5,7-dihydropteridin-6-one is Cc1nc(CC2CC(Oc3ncc(F)cn3)C2)nc2c1NC(=O)[C@H](C)N2C.
What is the InChIKey of (7S)-2-[[3-(5-fluoropyrimidin-2-yl)oxycyclobutyl]methyl]-4,7,8-trimethyl-5,7-dihydropteridin-6-one?
The InChIKey is OESGHJIWOHXJLP-ZBOXLXRLSA-N. The full InChI is InChI=1S/C18H21FN6O2/c1-9-15-16(25(3)10(2)17(26)24-15)23-14(22-9)6-11-4-13(5-11)27-18-20-7-12(19)8-21-18/h7-8,10-11,13H,4-6H2,1-3H3,(H,24,26)/t10-,11?,13?/m0/s1.
What are the key properties of (7S)-2-[[3-(5-fluoropyrimidin-2-yl)oxycyclobutyl]methyl]-4,7,8-trimethyl-5,7-dihydropteridin-6-one?
(7S)-2-[[3-(5-fluoropyrimidin-2-yl)oxycyclobutyl]methyl]-4,7,8-trimethyl-5,7-dihydropteridin-6-one has a molecular weight of 372.40 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 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]-4,7,8-trimethyl-5,7-dihydropteridin-6-one is sourced from PubChem (CID 159972373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).