2-methyl-6-(1-methylcyclopropyl)-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]-5,8-dihydropyrido[4,3-d]pyrimidin-7-one

C22H25F3N4O — CID 163365620

IUPAC2-methyl-6-(1-methylcyclopropyl)-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]-5,8-dihydropyrido[4,3-d]pyrimidin-7-one
SMILESCc1nc2c(c(N[C@H](C)c3cccc(C(F)(F)F)c3C)n1)CN(C1(C)CC1)C(=O)C2
InChIInChI=1S/C22H25F3N4O/c1-12-15(6-5-7-17(12)22(23,24)25)13(2)26-20-16-11-29(21(4)8-9-21)19(30)10-18(16)27-14(3)28-20/h5-7,13H,8-11H2,1-4H3,(H,26,27,28)/t13-/m1/s1
InChIKeyFXWMGBNMDFBMLZ-CYBMUJFWSA-N
MW418.46 g/mol
LogP4.72
Rot. Bonds4

About 2-methyl-6-(1-methylcyclopropyl)-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]-5,8-dihydropyrido[4,3-d]pyrimidin-7-one

2-methyl-6-(1-methylcyclopropyl)-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]-5,8-dihydropyrido[4,3-d]pyrimidin-7-one (PubChem CID 163365620) has the molecular formula C22H25F3N4O and a molecular weight of 418.46 g/mol. Its IUPAC name is 2-methyl-6-(1-methylcyclopropyl)-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]-5,8-dihydropyrido[4,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-methyl-6-(1-methylcyclopropyl)-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]-5,8-dihydropyrido[4,3-d]pyrimidin-7-one
PubChem CID163365620
Molecular FormulaC22H25F3N4O
Molecular Weight418.46 g/mol
Exact Mass418.20
IUPAC Name2-methyl-6-(1-methylcyclopropyl)-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]-5,8-dihydropyrido[4,3-d]pyrimidin-7-one
SMILESCc1nc2c(c(N[C@H](C)c3cccc(C(F)(F)F)c3C)n1)CN(C1(C)CC1)C(=O)C2
InChIInChI=1S/C22H25F3N4O/c1-12-15(6-5-7-17(12)22(23,24)25)13(2)26-20-16-11-29(21(4)8-9-21)19(30)10-18(16)27-14(3)28-20/h5-7,13H,8-11H2,1-4H3,(H,26,27,28)/t13-/m1/s1
InChIKeyFXWMGBNMDFBMLZ-CYBMUJFWSA-N
XLogP4.72
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.46
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-6-(1-methylcyclopropyl)-4-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethylamino]pyrido[4,3-d]pyrimidin-7-one;hydrochloride
CID 171340862
2-methyl-6-(3-methyloxolan-3-yl)-4-[[(1S)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[4,3-d]pyrimidin-7-one
CID 155479433
5-(1,3-dioxolan-2-yl)-2-methyl-6-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrimidine-4-carboxylic acid
CID 175274968
6-(1-azabicyclo[2.2.2]octan-4-yl)-8-ethynyl-2-methyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[4,3-d]pyrimidin-7-one
CID 163365572
6-(3-hydroxycyclobutyl)-2-methyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[4,3-d]pyrimidin-7-one
CID 138750575
2-[5-(1,3-dioxolan-2-yl)-2-methyl-6-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrimidin-4-yl]-N-[1-(fluoromethyl)cyclopropyl]acetamide
CID 138750721
2-methyl-N-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]spiro[7,9-dihydro-[1,4]dioxepino[2,3-g]quinazoline-8,1'-cyclobutane]-4-amine
CID 167153966
6-dimethylphosphoryl-2-methyl-4-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]quinazoline-4,7-diamine
CID 167166014
methyl 2-[5-(1,3-dioxol-2-yl)-2-methyl-6-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrimidin-4-yl]acetate
CID 163365514
8-bromo-2-methyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]-6-[3-(trifluoromethyl)oxolan-3-yl]pyrido[4,3-d]pyrimidin-7-one
CID 163365684
2-[[5-(1,3-dioxolan-2-yl)-2-methyl-6-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrimidine-4-carbonyl]-methylamino]acetic acid
CID 175275113
6-dimethylphosphoryl-2-methyl-4-N-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-7-N-propan-2-ylquinazoline-4,7-diamine
CID 175261907

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(1-methylcyclopropyl)-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]-5,8-dihydropyrido[4,3-d]pyrimidin-7-one?
The IUPAC name of 2-methyl-6-(1-methylcyclopropyl)-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]-5,8-dihydropyrido[4,3-d]pyrimidin-7-one (CID 163365620) is 2-methyl-6-(1-methylcyclopropyl)-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]-5,8-dihydropyrido[4,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-methyl-6-(1-methylcyclopropyl)-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]-5,8-dihydropyrido[4,3-d]pyrimidin-7-one?
The canonical SMILES for 2-methyl-6-(1-methylcyclopropyl)-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]-5,8-dihydropyrido[4,3-d]pyrimidin-7-one is Cc1nc2c(c(N[C@H](C)c3cccc(C(F)(F)F)c3C)n1)CN(C1(C)CC1)C(=O)C2.
What is the InChIKey of 2-methyl-6-(1-methylcyclopropyl)-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]-5,8-dihydropyrido[4,3-d]pyrimidin-7-one?
The InChIKey is FXWMGBNMDFBMLZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C22H25F3N4O/c1-12-15(6-5-7-17(12)22(23,24)25)13(2)26-20-16-11-29(21(4)8-9-21)19(30)10-18(16)27-14(3)28-20/h5-7,13H,8-11H2,1-4H3,(H,26,27,28)/t13-/m1/s1.
What are the key properties of 2-methyl-6-(1-methylcyclopropyl)-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]-5,8-dihydropyrido[4,3-d]pyrimidin-7-one?
2-methyl-6-(1-methylcyclopropyl)-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]-5,8-dihydropyrido[4,3-d]pyrimidin-7-one has a molecular weight of 418.46 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(1-methylcyclopropyl)-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]-5,8-dihydropyrido[4,3-d]pyrimidin-7-one is sourced from PubChem (CID 163365620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).