[2-amino-7-methyl-4-(3-methylphenyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(5-methyl-1H-pyrazol-3-yl)methanone

C19H20N6O — CID 56706026

IUPAC[2-amino-7-methyl-4-(3-methylphenyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
SMILESCc1cccc(-c2nc(N)nc3c2CN(C(=O)c2cc(C)[nH]n2)C3C)c1
InChIInChI=1S/C19H20N6O/c1-10-5-4-6-13(7-10)17-14-9-25(12(3)16(14)21-19(20)22-17)18(26)15-8-11(2)23-24-15/h4-8,12H,9H2,1-3H3,(H,23,24)(H2,20,21,22)
InChIKeyHWPDPFNIMVVBBM-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.78
Rot. Bonds2

About [2-amino-7-methyl-4-(3-methylphenyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(5-methyl-1H-pyrazol-3-yl)methanone

[2-amino-7-methyl-4-(3-methylphenyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(5-methyl-1H-pyrazol-3-yl)methanone (PubChem CID 56706026) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is [2-amino-7-methyl-4-(3-methylphenyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(5-methyl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[2-amino-7-methyl-4-(3-methylphenyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
PubChem CID56706026
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name[2-amino-7-methyl-4-(3-methylphenyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
SMILESCc1cccc(-c2nc(N)nc3c2CN(C(=O)c2cc(C)[nH]n2)C3C)c1
InChIInChI=1S/C19H20N6O/c1-10-5-4-6-13(7-10)17-14-9-25(12(3)16(14)21-19(20)22-17)18(26)15-8-11(2)23-24-15/h4-8,12H,9H2,1-3H3,(H,23,24)(H2,20,21,22)
InChIKeyHWPDPFNIMVVBBM-UHFFFAOYSA-N
XLogP2.78
TPSA100.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-amino-7-methyl-4-(3-methylphenyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(5-methyl-1H-pyrazol-3-yl)methanone?
The IUPAC name of [2-amino-7-methyl-4-(3-methylphenyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(5-methyl-1H-pyrazol-3-yl)methanone (CID 56706026) is [2-amino-7-methyl-4-(3-methylphenyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(5-methyl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for [2-amino-7-methyl-4-(3-methylphenyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(5-methyl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for [2-amino-7-methyl-4-(3-methylphenyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(5-methyl-1H-pyrazol-3-yl)methanone is Cc1cccc(-c2nc(N)nc3c2CN(C(=O)c2cc(C)[nH]n2)C3C)c1.
What is the InChIKey of [2-amino-7-methyl-4-(3-methylphenyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(5-methyl-1H-pyrazol-3-yl)methanone?
The InChIKey is HWPDPFNIMVVBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c1-10-5-4-6-13(7-10)17-14-9-25(12(3)16(14)21-19(20)22-17)18(26)15-8-11(2)23-24-15/h4-8,12H,9H2,1-3H3,(H,23,24)(H2,20,21,22).
What are the key properties of [2-amino-7-methyl-4-(3-methylphenyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(5-methyl-1H-pyrazol-3-yl)methanone?
[2-amino-7-methyl-4-(3-methylphenyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(5-methyl-1H-pyrazol-3-yl)methanone has a molecular weight of 348.41 g/mol, XLogP of 2.78, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-7-methyl-4-(3-methylphenyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(5-methyl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 56706026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).