4-(3,6-dihydro-2H-pyridin-1-yl)-2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine

C18H18N4 — CID 10266238

IUPAC4-(3,6-dihydro-2H-pyridin-1-yl)-2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine
SMILESCc1nc(N2CC=CCC2)c2[nH]c(-c3ccccc3)cc2n1
InChIInChI=1S/C18H18N4/c1-13-19-16-12-15(14-8-4-2-5-9-14)21-17(16)18(20-13)22-10-6-3-7-11-22/h2-6,8-9,12,21H,7,10-11H2,1H3
InChIKeyTWLIUGAORMLTCW-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.70
Rot. Bonds2

About 4-(3,6-dihydro-2H-pyridin-1-yl)-2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine

4-(3,6-dihydro-2H-pyridin-1-yl)-2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine (PubChem CID 10266238) has the molecular formula C18H18N4 and a molecular weight of 290.37 g/mol. Its IUPAC name is 4-(3,6-dihydro-2H-pyridin-1-yl)-2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-(3,6-dihydro-2H-pyridin-1-yl)-2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine
PubChem CID10266238
Molecular FormulaC18H18N4
Molecular Weight290.37 g/mol
Exact Mass290.15
IUPAC Name4-(3,6-dihydro-2H-pyridin-1-yl)-2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine
SMILESCc1nc(N2CC=CCC2)c2[nH]c(-c3ccccc3)cc2n1
InChIInChI=1S/C18H18N4/c1-13-19-16-12-15(14-8-4-2-5-9-14)21-17(16)18(20-13)22-10-6-3-7-11-22/h2-6,8-9,12,21H,7,10-11H2,1H3
InChIKeyTWLIUGAORMLTCW-UHFFFAOYSA-N
XLogP3.70
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3,6-dihydro-2H-pyridin-1-yl)-2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine?
The IUPAC name of 4-(3,6-dihydro-2H-pyridin-1-yl)-2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine (CID 10266238) is 4-(3,6-dihydro-2H-pyridin-1-yl)-2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for 4-(3,6-dihydro-2H-pyridin-1-yl)-2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine?
The canonical SMILES for 4-(3,6-dihydro-2H-pyridin-1-yl)-2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine is Cc1nc(N2CC=CCC2)c2[nH]c(-c3ccccc3)cc2n1.
What is the InChIKey of 4-(3,6-dihydro-2H-pyridin-1-yl)-2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine?
The InChIKey is TWLIUGAORMLTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4/c1-13-19-16-12-15(14-8-4-2-5-9-14)21-17(16)18(20-13)22-10-6-3-7-11-22/h2-6,8-9,12,21H,7,10-11H2,1H3.
What are the key properties of 4-(3,6-dihydro-2H-pyridin-1-yl)-2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine?
4-(3,6-dihydro-2H-pyridin-1-yl)-2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine has a molecular weight of 290.37 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,6-dihydro-2H-pyridin-1-yl)-2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 10266238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).