[(7S)-2,4-diamino-7-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-phenylmethanone

C14H15N5O — CID 92534284

IUPAC[(7S)-2,4-diamino-7-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-phenylmethanone
SMILESC[C@H]1c2nc(N)nc(N)c2CN1C(=O)c1ccccc1
InChIInChI=1S/C14H15N5O/c1-8-11-10(12(15)18-14(16)17-11)7-19(8)13(20)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H4,15,16,17,18)/t8-/m0/s1
InChIKeyICUGPYSFBUOHOU-QMMMGPOBSA-N
MW269.31 g/mol
LogP1.36
Rot. Bonds1

About [(7S)-2,4-diamino-7-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-phenylmethanone

[(7S)-2,4-diamino-7-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-phenylmethanone (PubChem CID 92534284) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is [(7S)-2,4-diamino-7-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-phenylmethanone.

Molecular Properties

Compound Name[(7S)-2,4-diamino-7-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-phenylmethanone
PubChem CID92534284
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name[(7S)-2,4-diamino-7-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-phenylmethanone
SMILESC[C@H]1c2nc(N)nc(N)c2CN1C(=O)c1ccccc1
InChIInChI=1S/C14H15N5O/c1-8-11-10(12(15)18-14(16)17-11)7-19(8)13(20)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H4,15,16,17,18)/t8-/m0/s1
InChIKeyICUGPYSFBUOHOU-QMMMGPOBSA-N
XLogP1.36
TPSA98.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(7S)-2,4-diamino-7-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-phenylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(7R)-2,4-diamino-7-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(3,5-dichlorophenyl)methanone
CID 677597
[(7S)-2-amino-7-methyl-4-(3-methylphenyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(3-methyl-2-pyridinyl)methanone
CID 95219696
(2-amino-7-methyl-4-pyridin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(1H-1,2,4-triazol-5-yl)methanone
CID 50960479
[(7S)-2-amino-7-methyl-4-pyridin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(1H-1,2,4-triazol-5-yl)methanone
CID 95125640
4-benzoyl-1-(4-chlorophenyl)-3-methylpiperazin-2-one
CID 24716215
(2R,3S)-1-benzoyl-3-methylpyrrolidine-2-carbaldehyde
CID 88515757
[(2S,4S,5R)-4-hydroxy-2,5-dimethylpiperidin-1-yl]-phenylmethanone
CID 7329928
(2,4-diamino-5,6,7,8-tetrahydroquinazolin-6-yl)-phenylmethanone
CID 19705274
[(8R)-3,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-phenylmethanone
CID 169036001
[4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-phenylmethanone
CID 2532732
[(3aS,7aS)-3-benzoyl-2-methyl-3a,4,5,6,7,7a-hexahydro-2H-benzimidazol-1-yl]-phenylmethanone
CID 102506692
[(2R,5S)-5-ethyl-2-methylmorpholin-4-yl]-phenylmethanone
CID 95358527

Frequently Asked Questions

What is the IUPAC name of [(7S)-2,4-diamino-7-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-phenylmethanone?
The IUPAC name of [(7S)-2,4-diamino-7-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-phenylmethanone (CID 92534284) is [(7S)-2,4-diamino-7-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-phenylmethanone.
What is the SMILES notation for [(7S)-2,4-diamino-7-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-phenylmethanone?
The canonical SMILES for [(7S)-2,4-diamino-7-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-phenylmethanone is C[C@H]1c2nc(N)nc(N)c2CN1C(=O)c1ccccc1.
What is the InChIKey of [(7S)-2,4-diamino-7-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-phenylmethanone?
The InChIKey is ICUGPYSFBUOHOU-QMMMGPOBSA-N. The full InChI is InChI=1S/C14H15N5O/c1-8-11-10(12(15)18-14(16)17-11)7-19(8)13(20)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H4,15,16,17,18)/t8-/m0/s1.
What are the key properties of [(7S)-2,4-diamino-7-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-phenylmethanone?
[(7S)-2,4-diamino-7-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-phenylmethanone has a molecular weight of 269.31 g/mol, XLogP of 1.36, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(7S)-2,4-diamino-7-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-phenylmethanone is sourced from PubChem (CID 92534284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).