2-(2,3-dimethylphenyl)-4-(ethylamino)-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one

C19H24N4O — CID 69084503

IUPAC2-(2,3-dimethylphenyl)-4-(ethylamino)-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one
SMILESCCNc1nc(-c2cccc(C)c2C)nc2c1CN(C(C)C)C2=O
InChIInChI=1S/C19H24N4O/c1-6-20-17-15-10-23(11(2)3)19(24)16(15)21-18(22-17)14-9-7-8-12(4)13(14)5/h7-9,11H,6,10H2,1-5H3,(H,20,21,22)
InChIKeyYZXBJMMMVNYRDX-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.56
Rot. Bonds4

About 2-(2,3-dimethylphenyl)-4-(ethylamino)-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one

2-(2,3-dimethylphenyl)-4-(ethylamino)-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one (PubChem CID 69084503) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 2-(2,3-dimethylphenyl)-4-(ethylamino)-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-(2,3-dimethylphenyl)-4-(ethylamino)-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one
PubChem CID69084503
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name2-(2,3-dimethylphenyl)-4-(ethylamino)-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one
SMILESCCNc1nc(-c2cccc(C)c2C)nc2c1CN(C(C)C)C2=O
InChIInChI=1S/C19H24N4O/c1-6-20-17-15-10-23(11(2)3)19(24)16(15)21-18(22-17)14-9-7-8-12(4)13(14)5/h7-9,11H,6,10H2,1-5H3,(H,20,21,22)
InChIKeyYZXBJMMMVNYRDX-UHFFFAOYSA-N
XLogP3.56
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 57431769
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CID 57431796
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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenyl)-4-(ethylamino)-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one?
The IUPAC name of 2-(2,3-dimethylphenyl)-4-(ethylamino)-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one (CID 69084503) is 2-(2,3-dimethylphenyl)-4-(ethylamino)-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one.
What is the SMILES notation for 2-(2,3-dimethylphenyl)-4-(ethylamino)-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one?
The canonical SMILES for 2-(2,3-dimethylphenyl)-4-(ethylamino)-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one is CCNc1nc(-c2cccc(C)c2C)nc2c1CN(C(C)C)C2=O.
What is the InChIKey of 2-(2,3-dimethylphenyl)-4-(ethylamino)-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one?
The InChIKey is YZXBJMMMVNYRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-6-20-17-15-10-23(11(2)3)19(24)16(15)21-18(22-17)14-9-7-8-12(4)13(14)5/h7-9,11H,6,10H2,1-5H3,(H,20,21,22).
What are the key properties of 2-(2,3-dimethylphenyl)-4-(ethylamino)-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one?
2-(2,3-dimethylphenyl)-4-(ethylamino)-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one has a molecular weight of 324.43 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenyl)-4-(ethylamino)-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one is sourced from PubChem (CID 69084503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).