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

C17H20FN7O2 — CID 146194521

IUPAC(7S)-2-[[3-(5-fluoropyrimidin-2-yl)oxycyclobutyl]amino]-4,7,8-trimethyl-5,7-dihydropteridin-6-one
SMILESCc1nc(NC2CC(Oc3ncc(F)cn3)C2)nc2c1NC(=O)[C@H](C)N2C
InChIInChI=1S/C17H20FN7O2/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)/t9-,11?,12?/m0/s1
InChIKeyVWJYCRYXXLHNKX-GCVQQVDUSA-N
MW373.39 g/mol
LogP1.51
Rot. Bonds4

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

(7S)-2-[[3-(5-fluoropyrimidin-2-yl)oxycyclobutyl]amino]-4,7,8-trimethyl-5,7-dihydropteridin-6-one (PubChem CID 146194521) has the molecular formula C17H20FN7O2 and a molecular weight of 373.39 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 Properties

Compound Name(7S)-2-[[3-(5-fluoropyrimidin-2-yl)oxycyclobutyl]amino]-4,7,8-trimethyl-5,7-dihydropteridin-6-one
PubChem CID146194521
Molecular FormulaC17H20FN7O2
Molecular Weight373.39 g/mol
Exact Mass373.17
IUPAC Name(7S)-2-[[3-(5-fluoropyrimidin-2-yl)oxycyclobutyl]amino]-4,7,8-trimethyl-5,7-dihydropteridin-6-one
SMILESCc1nc(NC2CC(Oc3ncc(F)cn3)C2)nc2c1NC(=O)[C@H](C)N2C
InChIInChI=1S/C17H20FN7O2/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)/t9-,11?,12?/m0/s1
InChIKeyVWJYCRYXXLHNKX-GCVQQVDUSA-N
XLogP1.51
TPSA105.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

(7S)-4,8-dimethyl-7-propan-2-yl-2-[[3-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclobutyl]amino]-5,7-dihydropteridin-6-one
CID 146193933
(7S)-7-[(1R)-1-methoxyethyl]-4,8-dimethyl-2-[[3-[[[5-(trifluoromethyl)pyrazin-2-yl]amino]methyl]cyclobutyl]amino]-5,7-dihydropteridin-6-one
CID 146193965
(7S)-7-(1-methoxyethyl)-4,8-dimethyl-2-[[3-[[[5-(trifluoromethyl)pyrazin-2-yl]amino]methyl]cyclobutyl]amino]-5,7-dihydropteridin-6-one
CID 146193967
(7S)-2-[[3-(5-fluoropyrimidin-2-yl)oxycyclobutyl]amino]-4,5,7,8-tetramethyl-7H-pteridin-6-one
CID 146194158
(7S)-4,8-dimethyl-2-[[3-[methyl-[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclobutyl]amino]-7-propan-2-yl-5,7-dihydropteridin-6-one
CID 146194180
(7S)-7-[(1R)-1-methoxyethyl]-4,8-dimethyl-2-[[3-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclobutyl]amino]-5,7-dihydropteridin-6-one
CID 146194187
(7S)-7-(1-methoxyethyl)-4,8-dimethyl-2-[[3-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclobutyl]amino]-5,7-dihydropteridin-6-one
CID 146194188
(7S)-4,8-dimethyl-7-propan-2-yl-2-[[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclobutyl]amino]-5,7-dihydropteridin-6-one
CID 146194349
(7S)-4,7,8-trimethyl-2-[[3-[methyl-[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclobutyl]amino]-5,7-dihydropteridin-6-one
CID 146194515
(7S)-4,5,7,8-tetramethyl-2-[[3-[2-(trifluoromethyl)pyrimidin-5-yl]oxycyclobutyl]amino]-7H-pteridin-6-one
CID 146194524
(7S)-4,8-dimethyl-7-propan-2-yl-2-[[3-[2-(trifluoromethyl)pyrimidin-5-yl]oxycyclobutyl]amino]-5,7-dihydropteridin-6-one
CID 146194704
(7S)-7-[(1R)-1-methoxyethyl]-4,8-dimethyl-2-[[3-[methyl-[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclobutyl]amino]-5,7-dihydropteridin-6-one
CID 146194778

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?
The IUPAC name of (7S)-2-[[3-(5-fluoropyrimidin-2-yl)oxycyclobutyl]amino]-4,7,8-trimethyl-5,7-dihydropteridin-6-one (CID 146194521) is (7S)-2-[[3-(5-fluoropyrimidin-2-yl)oxycyclobutyl]amino]-4,7,8-trimethyl-5,7-dihydropteridin-6-one.
What is the SMILES notation for (7S)-2-[[3-(5-fluoropyrimidin-2-yl)oxycyclobutyl]amino]-4,7,8-trimethyl-5,7-dihydropteridin-6-one?
The canonical SMILES for (7S)-2-[[3-(5-fluoropyrimidin-2-yl)oxycyclobutyl]amino]-4,7,8-trimethyl-5,7-dihydropteridin-6-one is Cc1nc(NC2CC(Oc3ncc(F)cn3)C2)nc2c1NC(=O)[C@H](C)N2C.
What is the InChIKey of (7S)-2-[[3-(5-fluoropyrimidin-2-yl)oxycyclobutyl]amino]-4,7,8-trimethyl-5,7-dihydropteridin-6-one?
The InChIKey is VWJYCRYXXLHNKX-GCVQQVDUSA-N. The full InChI is InChI=1S/C17H20FN7O2/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)/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?
(7S)-2-[[3-(5-fluoropyrimidin-2-yl)oxycyclobutyl]amino]-4,7,8-trimethyl-5,7-dihydropteridin-6-one has a molecular weight of 373.39 g/mol, XLogP of 1.51, 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 is sourced from PubChem (CID 146194521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).