2-(3,5-dimethyl-2-pyridinyl)-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

C15H18N4 — CID 114740752

IUPAC2-(3,5-dimethyl-2-pyridinyl)-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCCc1nc(-c2ncc(C)cc2C)nc2c1CNC2
InChIInChI=1S/C15H18N4/c1-4-12-11-7-16-8-13(11)19-15(18-12)14-10(3)5-9(2)6-17-14/h5-6,16H,4,7-8H2,1-3H3
InChIKeyDCQSDQYOSGPNQT-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.32
Rot. Bonds2

About 2-(3,5-dimethyl-2-pyridinyl)-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

2-(3,5-dimethyl-2-pyridinyl)-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (PubChem CID 114740752) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 2-(3,5-dimethyl-2-pyridinyl)-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-(3,5-dimethyl-2-pyridinyl)-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
PubChem CID114740752
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name2-(3,5-dimethyl-2-pyridinyl)-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCCc1nc(-c2ncc(C)cc2C)nc2c1CNC2
InChIInChI=1S/C15H18N4/c1-4-12-11-7-16-8-13(11)19-15(18-12)14-10(3)5-9(2)6-17-14/h5-6,16H,4,7-8H2,1-3H3
InChIKeyDCQSDQYOSGPNQT-UHFFFAOYSA-N
XLogP2.32
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-2-pyridinyl)-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The IUPAC name of 2-(3,5-dimethyl-2-pyridinyl)-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (CID 114740752) is 2-(3,5-dimethyl-2-pyridinyl)-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 2-(3,5-dimethyl-2-pyridinyl)-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 2-(3,5-dimethyl-2-pyridinyl)-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is CCc1nc(-c2ncc(C)cc2C)nc2c1CNC2.
What is the InChIKey of 2-(3,5-dimethyl-2-pyridinyl)-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The InChIKey is DCQSDQYOSGPNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-4-12-11-7-16-8-13(11)19-15(18-12)14-10(3)5-9(2)6-17-14/h5-6,16H,4,7-8H2,1-3H3.
What are the key properties of 2-(3,5-dimethyl-2-pyridinyl)-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
2-(3,5-dimethyl-2-pyridinyl)-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine has a molecular weight of 254.34 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-2-pyridinyl)-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 114740752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).