[(7R)-2,4-diamino-7-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(3,5-dichlorophenyl)methanone

C14H13Cl2N5O — CID 677597

IUPAC[(7R)-2,4-diamino-7-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(3,5-dichlorophenyl)methanone
SMILESC[C@@H]1c2nc(N)nc(N)c2CN1C(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H13Cl2N5O/c1-6-11-10(12(17)20-14(18)19-11)5-21(6)13(22)7-2-8(15)4-9(16)3-7/h2-4,6H,5H2,1H3,(H4,17,18,19,20)/t6-/m1/s1
InChIKeyOPURLEOLWGOUOI-ZCFIWIBFSA-N
MW338.20 g/mol
LogP2.66
Rot. Bonds1

About [(7R)-2,4-diamino-7-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(3,5-dichlorophenyl)methanone

[(7R)-2,4-diamino-7-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(3,5-dichlorophenyl)methanone (PubChem CID 677597) has the molecular formula C14H13Cl2N5O and a molecular weight of 338.20 g/mol. Its IUPAC name is [(7R)-2,4-diamino-7-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(3,5-dichlorophenyl)methanone.

Molecular Properties

Compound Name[(7R)-2,4-diamino-7-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(3,5-dichlorophenyl)methanone
PubChem CID677597
Molecular FormulaC14H13Cl2N5O
Molecular Weight338.20 g/mol
Exact Mass337.05
IUPAC Name[(7R)-2,4-diamino-7-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(3,5-dichlorophenyl)methanone
SMILESC[C@@H]1c2nc(N)nc(N)c2CN1C(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H13Cl2N5O/c1-6-11-10(12(17)20-14(18)19-11)5-21(6)13(22)7-2-8(15)4-9(16)3-7/h2-4,6H,5H2,1H3,(H4,17,18,19,20)/t6-/m1/s1
InChIKeyOPURLEOLWGOUOI-ZCFIWIBFSA-N
XLogP2.66
TPSA98.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.20
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(7R)-2,4-diamino-7-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(3,5-dichlorophenyl)methanone?
The IUPAC name of [(7R)-2,4-diamino-7-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(3,5-dichlorophenyl)methanone (CID 677597) is [(7R)-2,4-diamino-7-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(3,5-dichlorophenyl)methanone.
What is the SMILES notation for [(7R)-2,4-diamino-7-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(3,5-dichlorophenyl)methanone?
The canonical SMILES for [(7R)-2,4-diamino-7-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(3,5-dichlorophenyl)methanone is C[C@@H]1c2nc(N)nc(N)c2CN1C(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of [(7R)-2,4-diamino-7-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(3,5-dichlorophenyl)methanone?
The InChIKey is OPURLEOLWGOUOI-ZCFIWIBFSA-N. The full InChI is InChI=1S/C14H13Cl2N5O/c1-6-11-10(12(17)20-14(18)19-11)5-21(6)13(22)7-2-8(15)4-9(16)3-7/h2-4,6H,5H2,1H3,(H4,17,18,19,20)/t6-/m1/s1.
What are the key properties of [(7R)-2,4-diamino-7-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(3,5-dichlorophenyl)methanone?
[(7R)-2,4-diamino-7-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(3,5-dichlorophenyl)methanone has a molecular weight of 338.20 g/mol, XLogP of 2.66, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(7R)-2,4-diamino-7-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(3,5-dichlorophenyl)methanone is sourced from PubChem (CID 677597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).