2-amino-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4-(trifluoromethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one

C16H16F3N5O2 — CID 58278517

IUPAC2-amino-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4-(trifluoromethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCOc1c(C)cnc(CN2C(=O)Cc3c2nc(N)nc3C(F)(F)F)c1C
InChIInChI=1S/C16H16F3N5O2/c1-7-5-21-10(8(2)12(7)26-3)6-24-11(25)4-9-13(16(17,18)19)22-15(20)23-14(9)24/h5H,4,6H2,1-3H3,(H2,20,22,23)
InChIKeyWEYXGKPRSGVKRY-UHFFFAOYSA-N
MW367.33 g/mol
LogP2.19
Rot. Bonds3

About 2-amino-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4-(trifluoromethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one

2-amino-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4-(trifluoromethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 58278517) has the molecular formula C16H16F3N5O2 and a molecular weight of 367.33 g/mol. Its IUPAC name is 2-amino-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4-(trifluoromethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4-(trifluoromethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
PubChem CID58278517
Molecular FormulaC16H16F3N5O2
Molecular Weight367.33 g/mol
Exact Mass367.13
IUPAC Name2-amino-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4-(trifluoromethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCOc1c(C)cnc(CN2C(=O)Cc3c2nc(N)nc3C(F)(F)F)c1C
InChIInChI=1S/C16H16F3N5O2/c1-7-5-21-10(8(2)12(7)26-3)6-24-11(25)4-9-13(16(17,18)19)22-15(20)23-14(9)24/h5H,4,6H2,1-3H3,(H2,20,22,23)
InChIKeyWEYXGKPRSGVKRY-UHFFFAOYSA-N
XLogP2.19
TPSA94.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.33
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4-methyl-5-(2-methylpropyl)-7H-pteridin-6-one
CID 45273203
2-amino-6-chloro-9-((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)-7H-purin-8(9H)-one
CID 24783092
2-Amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pteridin-7-one
CID 45270669
5-Cyclopropyl-3-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]-1,2,4-oxadiazole
CID 72122989
2-Amino-6-chloro-9-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-7-(3,4,4-trifluorobut-3-enyl)purin-8-one
CID 24785124
(7R)-2-amino-5-(2,2-difluoroethyl)-8-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-7-methyl-7H-pteridin-6-one
CID 25159015
(5Z)-2-amino-4-fluoro-5-(1H-imidazol-2-ylmethylidene)-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one
CID 44480408
2-[(5R)-2-amino-4-chloro-7-[[3,5-dimethyl-4-(trifluoromethoxy)-2-pyridinyl]methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]-N-(oxetan-3-yl)acetamide
CID 49763114
5-[(Z)-[2-amino-7-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-6-oxo-4-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-N-[2-(diethylamino)ethyl]-1H-pyrrole-3-carboxamide
CID 58278351
(5Z)-2-amino-4-chloro-7-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-5-[[4-(trifluoromethyl)-1H-pyrrol-2-yl]methylidene]pyrrolo[2,3-d]pyrimidin-6-one
CID 58278530
5-[(Z)-[2-amino-7-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-6-oxo-4-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-2,4-dimethyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide
CID 58278544
2-amino-4-fluoro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-(2-methylpropyl)-7H-pteridin-6-one
CID 58278560

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4-(trifluoromethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 2-amino-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4-(trifluoromethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one (CID 58278517) is 2-amino-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4-(trifluoromethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 2-amino-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4-(trifluoromethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 2-amino-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4-(trifluoromethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one is COc1c(C)cnc(CN2C(=O)Cc3c2nc(N)nc3C(F)(F)F)c1C.
What is the InChIKey of 2-amino-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4-(trifluoromethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is WEYXGKPRSGVKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N5O2/c1-7-5-21-10(8(2)12(7)26-3)6-24-11(25)4-9-13(16(17,18)19)22-15(20)23-14(9)24/h5H,4,6H2,1-3H3,(H2,20,22,23).
What are the key properties of 2-amino-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4-(trifluoromethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?
2-amino-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4-(trifluoromethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 367.33 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-4-(trifluoromethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 58278517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).