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

C17H24FN7O2 — CID 153355818

IUPAC(7S)-2-[[3-(5-fluoropyrimidin-2-yl)oxycyclobutyl]amino]-4,7,8-trimethyl-5,7-dihydropteridin-6-one;molecular hydrogen
SMILESCc1nc(NC2CC(Oc3ncc(F)cn3)C2)nc2c1NC(=O)[C@H](C)N2C.[H][H].[H][H]
InChIInChI=1S/C17H20FN7O2.2H2/c1-8-13-14(25(3)9(2)15(26)23-13)24-16(21-8)22-11-4-12(5-11)27-17-19-6-10(18)7-20-17;;/h6-7,9,11-12H,4-5H2,1-3H3,(H,23,26)(H,21,22,24);2*1H/t9-,11?,12?;;/m0../s1
InChIKeyLHFQVILLIFXLRE-HNOIKBPVSA-N
MW377.42 g/mol
LogP2.00
Rot. Bonds4

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

(7S)-2-[[3-(5-fluoropyrimidin-2-yl)oxycyclobutyl]amino]-4,7,8-trimethyl-5,7-dihydropteridin-6-one;molecular hydrogen (PubChem CID 153355818) has the molecular formula C17H24FN7O2 and a molecular weight of 377.42 g/mol. Its IUPAC name is (7S)-2-[[3-(5-fluoropyrimidin-2-yl)oxycyclobutyl]amino]-4,7,8-trimethyl-5,7-dihydropteridin-6-one;molecular hydrogen.

Molecular Properties

Compound Name(7S)-2-[[3-(5-fluoropyrimidin-2-yl)oxycyclobutyl]amino]-4,7,8-trimethyl-5,7-dihydropteridin-6-one;molecular hydrogen
PubChem CID153355818
Molecular FormulaC17H24FN7O2
Molecular Weight377.42 g/mol
Exact Mass377.20
IUPAC Name(7S)-2-[[3-(5-fluoropyrimidin-2-yl)oxycyclobutyl]amino]-4,7,8-trimethyl-5,7-dihydropteridin-6-one;molecular hydrogen
SMILESCc1nc(NC2CC(Oc3ncc(F)cn3)C2)nc2c1NC(=O)[C@H](C)N2C.[H][H].[H][H]
InChIInChI=1S/C17H20FN7O2.2H2/c1-8-13-14(25(3)9(2)15(26)23-13)24-16(21-8)22-11-4-12(5-11)27-17-19-6-10(18)7-20-17;;/h6-7,9,11-12H,4-5H2,1-3H3,(H,23,26)(H,21,22,24);2*1H/t9-,11?,12?;;/m0../s1
InChIKeyLHFQVILLIFXLRE-HNOIKBPVSA-N
XLogP2.00
TPSA105.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 52.00
H-Bond Donors ≤ 52
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]-4,7,8-trimethyl-5,7-dihydropteridin-6-one;molecular hydrogen?
The IUPAC name of (7S)-2-[[3-(5-fluoropyrimidin-2-yl)oxycyclobutyl]amino]-4,7,8-trimethyl-5,7-dihydropteridin-6-one;molecular hydrogen (CID 153355818) is (7S)-2-[[3-(5-fluoropyrimidin-2-yl)oxycyclobutyl]amino]-4,7,8-trimethyl-5,7-dihydropteridin-6-one;molecular hydrogen.
What is the SMILES notation for (7S)-2-[[3-(5-fluoropyrimidin-2-yl)oxycyclobutyl]amino]-4,7,8-trimethyl-5,7-dihydropteridin-6-one;molecular hydrogen?
The canonical SMILES for (7S)-2-[[3-(5-fluoropyrimidin-2-yl)oxycyclobutyl]amino]-4,7,8-trimethyl-5,7-dihydropteridin-6-one;molecular hydrogen is Cc1nc(NC2CC(Oc3ncc(F)cn3)C2)nc2c1NC(=O)[C@H](C)N2C.[H][H].[H][H].
What is the InChIKey of (7S)-2-[[3-(5-fluoropyrimidin-2-yl)oxycyclobutyl]amino]-4,7,8-trimethyl-5,7-dihydropteridin-6-one;molecular hydrogen?
The InChIKey is LHFQVILLIFXLRE-HNOIKBPVSA-N. The full InChI is InChI=1S/C17H20FN7O2.2H2/c1-8-13-14(25(3)9(2)15(26)23-13)24-16(21-8)22-11-4-12(5-11)27-17-19-6-10(18)7-20-17;;/h6-7,9,11-12H,4-5H2,1-3H3,(H,23,26)(H,21,22,24);2*1H/t9-,11?,12?;;/m0../s1.
What are the key properties of (7S)-2-[[3-(5-fluoropyrimidin-2-yl)oxycyclobutyl]amino]-4,7,8-trimethyl-5,7-dihydropteridin-6-one;molecular hydrogen?
(7S)-2-[[3-(5-fluoropyrimidin-2-yl)oxycyclobutyl]amino]-4,7,8-trimethyl-5,7-dihydropteridin-6-one;molecular hydrogen has a molecular weight of 377.42 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 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]-4,7,8-trimethyl-5,7-dihydropteridin-6-one;molecular hydrogen is sourced from PubChem (CID 153355818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).