2-[(2R)-3-hydroxy-2-methylpropyl]-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide

C18H21F3N6O2 — CID 158406758

IUPAC2-[(2R)-3-hydroxy-2-methylpropyl]-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
SMILESC[C@@H](CO)Cc1ncc2c(n1)CN(C(=O)NCc1cnc(C(F)(F)F)nc1)CC2
InChIInChI=1S/C18H21F3N6O2/c1-11(10-28)4-15-22-8-13-2-3-27(9-14(13)26-15)17(29)25-7-12-5-23-16(24-6-12)18(19,20)21/h5-6,8,11,28H,2-4,7,9-10H2,1H3,(H,25,29)/t11-/m1/s1
InChIKeyGYUJTLNVWNDHHS-LLVKDONJSA-N
MW410.40 g/mol
LogP1.72
Rot. Bonds5

About 2-[(2R)-3-hydroxy-2-methylpropyl]-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide

2-[(2R)-3-hydroxy-2-methylpropyl]-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide (PubChem CID 158406758) has the molecular formula C18H21F3N6O2 and a molecular weight of 410.40 g/mol. Its IUPAC name is 2-[(2R)-3-hydroxy-2-methylpropyl]-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name2-[(2R)-3-hydroxy-2-methylpropyl]-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
PubChem CID158406758
Molecular FormulaC18H21F3N6O2
Molecular Weight410.40 g/mol
Exact Mass410.17
IUPAC Name2-[(2R)-3-hydroxy-2-methylpropyl]-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
SMILESC[C@@H](CO)Cc1ncc2c(n1)CN(C(=O)NCc1cnc(C(F)(F)F)nc1)CC2
InChIInChI=1S/C18H21F3N6O2/c1-11(10-28)4-15-22-8-13-2-3-27(9-14(13)26-15)17(29)25-7-12-5-23-16(24-6-12)18(19,20)21/h5-6,8,11,28H,2-4,7,9-10H2,1H3,(H,25,29)/t11-/m1/s1
InChIKeyGYUJTLNVWNDHHS-LLVKDONJSA-N
XLogP1.72
TPSA104.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.40
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(2R)-3-hydroxy-2-methylpropyl]-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide with MolForge

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Related Compounds

2-[[(2S)-1-hydroxypropan-2-yl]amino]-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
CID 119057324
[1-[(5S)-5-[(2-ethylpyrimidin-5-yl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol
CID 25479898
1-[(2S)-2-amino-4-oxo-4-[2-propyl-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]butyl]-5-fluoro-6-hydroxypiperidin-2-one
CID 44126235
tert-butyl 2-(1,1,1-trifluoro-3-hydroxypropan-2-ylamino)-5,6-dihydropyrido[3,4-d]pyrimidine-7(8H)-carboxylate
CID 68294355
tert-butyl 5,5-difluoro-2-(tetrahydro-2H-pyran-4-ylamino)-5,6-dihydropyrido[3,4-d]pyrimidine-7(8H)-carboxylate
CID 68294431
2-[(4,4-difluorocyclohexyl)amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid
CID 68295191
1-[(2R)-2-amino-4-oxo-4-[2-propyl-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]butyl]-5-fluoro-6-hydroxypiperidin-2-one
CID 68511711
1-[2-amino-4-oxo-4-[2-propyl-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]butyl]-5-fluoro-6-hydroxypiperidin-2-one
CID 68511712
1-[(2S)-2-amino-4-oxo-4-[2-propyl-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]butyl]-5-fluoro-6-hydroxypiperidin-2-one;hydrochloride
CID 68516715
1-[(2R)-2-amino-4-oxo-4-[2-propyl-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]butyl]-5-fluoro-6-hydroxypiperidin-2-one;hydrochloride
CID 68516717
1-[2-amino-4-oxo-4-[2-propyl-5-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]butyl]-5-fluoro-6-hydroxypiperidin-2-one;hydrochloride
CID 68516720
N-[[2-(fluoromethyl)pyrimidin-5-yl]methyl]-2-[[(2S)-1-hydroxypropan-2-yl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
CID 118369756

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-3-hydroxy-2-methylpropyl]-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?
The IUPAC name of 2-[(2R)-3-hydroxy-2-methylpropyl]-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide (CID 158406758) is 2-[(2R)-3-hydroxy-2-methylpropyl]-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide.
What is the SMILES notation for 2-[(2R)-3-hydroxy-2-methylpropyl]-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?
The canonical SMILES for 2-[(2R)-3-hydroxy-2-methylpropyl]-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide is C[C@@H](CO)Cc1ncc2c(n1)CN(C(=O)NCc1cnc(C(F)(F)F)nc1)CC2.
What is the InChIKey of 2-[(2R)-3-hydroxy-2-methylpropyl]-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?
The InChIKey is GYUJTLNVWNDHHS-LLVKDONJSA-N. The full InChI is InChI=1S/C18H21F3N6O2/c1-11(10-28)4-15-22-8-13-2-3-27(9-14(13)26-15)17(29)25-7-12-5-23-16(24-6-12)18(19,20)21/h5-6,8,11,28H,2-4,7,9-10H2,1H3,(H,25,29)/t11-/m1/s1.
What are the key properties of 2-[(2R)-3-hydroxy-2-methylpropyl]-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide?
2-[(2R)-3-hydroxy-2-methylpropyl]-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide has a molecular weight of 410.40 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-3-hydroxy-2-methylpropyl]-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 158406758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).