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

C18H24FN7O2 — CID 153355635

IUPAC(7S)-2-[[3-(5-fluoropyrimidin-2-yl)oxycyclobutyl]amino]-4,5,7,8-tetramethyl-7H-pteridin-6-one;molecular hydrogen
SMILESCc1nc(NC2CC(Oc3ncc(F)cn3)C2)nc2c1N(C)C(=O)[C@H](C)N2C.[H][H]
InChIInChI=1S/C18H22FN7O2.H2/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);1H/t10-,12?,13?;/m0./s1
InChIKeyNRIXUOACFVEVRS-NSPSATBFSA-N
MW389.44 g/mol
LogP1.78
Rot. Bonds4

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

(7S)-2-[[3-(5-fluoropyrimidin-2-yl)oxycyclobutyl]amino]-4,5,7,8-tetramethyl-7H-pteridin-6-one;molecular hydrogen (PubChem CID 153355635) has the molecular formula C18H24FN7O2 and a molecular weight of 389.44 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 hydrogen.

Molecular Properties

Compound Name(7S)-2-[[3-(5-fluoropyrimidin-2-yl)oxycyclobutyl]amino]-4,5,7,8-tetramethyl-7H-pteridin-6-one;molecular hydrogen
PubChem CID153355635
Molecular FormulaC18H24FN7O2
Molecular Weight389.44 g/mol
Exact Mass389.20
IUPAC Name(7S)-2-[[3-(5-fluoropyrimidin-2-yl)oxycyclobutyl]amino]-4,5,7,8-tetramethyl-7H-pteridin-6-one;molecular hydrogen
SMILESCc1nc(NC2CC(Oc3ncc(F)cn3)C2)nc2c1N(C)C(=O)[C@H](C)N2C.[H][H]
InChIInChI=1S/C18H22FN7O2.H2/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);1H/t10-,12?,13?;/m0./s1
InChIKeyNRIXUOACFVEVRS-NSPSATBFSA-N
XLogP1.78
TPSA96.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.44
LogP ≤ 51.78
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;molecular hydrogen?
The IUPAC name of (7S)-2-[[3-(5-fluoropyrimidin-2-yl)oxycyclobutyl]amino]-4,5,7,8-tetramethyl-7H-pteridin-6-one;molecular hydrogen (CID 153355635) is (7S)-2-[[3-(5-fluoropyrimidin-2-yl)oxycyclobutyl]amino]-4,5,7,8-tetramethyl-7H-pteridin-6-one;molecular hydrogen.
What is the SMILES notation for (7S)-2-[[3-(5-fluoropyrimidin-2-yl)oxycyclobutyl]amino]-4,5,7,8-tetramethyl-7H-pteridin-6-one;molecular hydrogen?
The canonical SMILES for (7S)-2-[[3-(5-fluoropyrimidin-2-yl)oxycyclobutyl]amino]-4,5,7,8-tetramethyl-7H-pteridin-6-one;molecular hydrogen is Cc1nc(NC2CC(Oc3ncc(F)cn3)C2)nc2c1N(C)C(=O)[C@H](C)N2C.[H][H].
What is the InChIKey of (7S)-2-[[3-(5-fluoropyrimidin-2-yl)oxycyclobutyl]amino]-4,5,7,8-tetramethyl-7H-pteridin-6-one;molecular hydrogen?
The InChIKey is NRIXUOACFVEVRS-NSPSATBFSA-N. The full InChI is InChI=1S/C18H22FN7O2.H2/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);1H/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;molecular hydrogen?
(7S)-2-[[3-(5-fluoropyrimidin-2-yl)oxycyclobutyl]amino]-4,5,7,8-tetramethyl-7H-pteridin-6-one;molecular hydrogen has a molecular weight of 389.44 g/mol, XLogP of 1.78, 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;molecular hydrogen is sourced from PubChem (CID 153355635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).