4,8-dimethyl-2-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methylamino]-5,7-dihydropteridin-6-one

C19H18F3N7O — CID 146202589

IUPAC4,8-dimethyl-2-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methylamino]-5,7-dihydropteridin-6-one
SMILESCc1nc(NCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)nc2c1NC(=O)CN2C
InChIInChI=1S/C19H18F3N7O/c1-11-16-17(28(2)10-15(30)25-16)26-18(24-11)23-9-12-3-5-13(6-4-12)29-8-7-14(27-29)19(20,21)22/h3-8H,9-10H2,1-2H3,(H,25,30)(H,23,24,26)
InChIKeyOSGCUAAFQSFCNL-UHFFFAOYSA-N
MW417.40 g/mol
LogP2.99
Rot. Bonds4

About 4,8-dimethyl-2-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methylamino]-5,7-dihydropteridin-6-one

4,8-dimethyl-2-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methylamino]-5,7-dihydropteridin-6-one (PubChem CID 146202589) has the molecular formula C19H18F3N7O and a molecular weight of 417.40 g/mol. Its IUPAC name is 4,8-dimethyl-2-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methylamino]-5,7-dihydropteridin-6-one.

Molecular Properties

Compound Name4,8-dimethyl-2-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methylamino]-5,7-dihydropteridin-6-one
PubChem CID146202589
Molecular FormulaC19H18F3N7O
Molecular Weight417.40 g/mol
Exact Mass417.15
IUPAC Name4,8-dimethyl-2-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methylamino]-5,7-dihydropteridin-6-one
SMILESCc1nc(NCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)nc2c1NC(=O)CN2C
InChIInChI=1S/C19H18F3N7O/c1-11-16-17(28(2)10-15(30)25-16)26-18(24-11)23-9-12-3-5-13(6-4-12)29-8-7-14(27-29)19(20,21)22/h3-8H,9-10H2,1-2H3,(H,25,30)(H,23,24,26)
InChIKeyOSGCUAAFQSFCNL-UHFFFAOYSA-N
XLogP2.99
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.40
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]methylamino]-4,8-dimethyl-5,7-dihydropteridin-6-one
CID 166645055
4,8-dimethyl-2-[[1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrazol-4-yl]methylamino]-5,7-dihydropteridin-6-one;methoxyethane
CID 153355531
4,8-dimethyl-2-[[(1R,3S)-3-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]amino]-5,7-dihydropteridin-6-one
CID 146202664
4-methyl-8-propyl-2-[[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]methylamino]-5,7-dihydropteridin-6-one
CID 146203238
ethyl 8-methyl-6-oxo-2-[[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]methylamino]-5,7-dihydropteridine-4-carboxylate
CID 153355867
4,8-dimethyl-2-[[3-[[6-(trifluoromethyl)-3-pyridinyl]oxymethyl]cyclobutyl]amino]-5,7-dihydropteridin-6-one;propane
CID 153355594
2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]methylamino]-4,8-dimethyl-5,7-dihydropteridin-6-one
CID 153355865
4,8-dimethyl-2-[[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclobutyl]amino]-5,7-dihydropteridin-6-one
CID 153355598
2-[[1-[[1-(3,5-difluorophenyl)pyrrolidin-2-yl]methyl]pyrazol-4-yl]methylamino]-4,8-dimethyl-5,7-dihydropteridin-6-one
CID 153355641
2-cyclopropyl-2-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methylamino]propan-1-ol
CID 111977142
1-(4-methylphenyl)-3-(trifluoromethyl)pyrazole
CID 66015733
3-hydroxy-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]thiolane-3-carboxamide
CID 102553752

Frequently Asked Questions

What is the IUPAC name of 4,8-dimethyl-2-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methylamino]-5,7-dihydropteridin-6-one?
The IUPAC name of 4,8-dimethyl-2-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methylamino]-5,7-dihydropteridin-6-one (CID 146202589) is 4,8-dimethyl-2-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methylamino]-5,7-dihydropteridin-6-one.
What is the SMILES notation for 4,8-dimethyl-2-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methylamino]-5,7-dihydropteridin-6-one?
The canonical SMILES for 4,8-dimethyl-2-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methylamino]-5,7-dihydropteridin-6-one is Cc1nc(NCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)nc2c1NC(=O)CN2C.
What is the InChIKey of 4,8-dimethyl-2-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methylamino]-5,7-dihydropteridin-6-one?
The InChIKey is OSGCUAAFQSFCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N7O/c1-11-16-17(28(2)10-15(30)25-16)26-18(24-11)23-9-12-3-5-13(6-4-12)29-8-7-14(27-29)19(20,21)22/h3-8H,9-10H2,1-2H3,(H,25,30)(H,23,24,26).
What are the key properties of 4,8-dimethyl-2-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methylamino]-5,7-dihydropteridin-6-one?
4,8-dimethyl-2-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methylamino]-5,7-dihydropteridin-6-one has a molecular weight of 417.40 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dimethyl-2-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methylamino]-5,7-dihydropteridin-6-one is sourced from PubChem (CID 146202589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).