2-cyclopropyl-6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine

C20H22N4 — CID 10522130

IUPAC2-cyclopropyl-6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
SMILESc1ccc(-c2cc3nc(C4CC4)nc(N4CCCCC4)c3[nH]2)cc1
InChIInChI=1S/C20H22N4/c1-3-7-14(8-4-1)16-13-17-18(21-16)20(24-11-5-2-6-12-24)23-19(22-17)15-9-10-15/h1,3-4,7-8,13,15,21H,2,5-6,9-12H2
InChIKeyJNPKAIZUBKUVSE-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.49
Rot. Bonds3

About 2-cyclopropyl-6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine

2-cyclopropyl-6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine (PubChem CID 10522130) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-cyclopropyl-6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-cyclopropyl-6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
PubChem CID10522130
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC Name2-cyclopropyl-6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
SMILESc1ccc(-c2cc3nc(C4CC4)nc(N4CCCCC4)c3[nH]2)cc1
InChIInChI=1S/C20H22N4/c1-3-7-14(8-4-1)16-13-17-18(21-16)20(24-11-5-2-6-12-24)23-19(22-17)15-9-10-15/h1,3-4,7-8,13,15,21H,2,5-6,9-12H2
InChIKeyJNPKAIZUBKUVSE-UHFFFAOYSA-N
XLogP4.49
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine?
The IUPAC name of 2-cyclopropyl-6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine (CID 10522130) is 2-cyclopropyl-6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for 2-cyclopropyl-6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine?
The canonical SMILES for 2-cyclopropyl-6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine is c1ccc(-c2cc3nc(C4CC4)nc(N4CCCCC4)c3[nH]2)cc1.
What is the InChIKey of 2-cyclopropyl-6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine?
The InChIKey is JNPKAIZUBKUVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4/c1-3-7-14(8-4-1)16-13-17-18(21-16)20(24-11-5-2-6-12-24)23-19(22-17)15-9-10-15/h1,3-4,7-8,13,15,21H,2,5-6,9-12H2.
What are the key properties of 2-cyclopropyl-6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine?
2-cyclopropyl-6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine has a molecular weight of 318.42 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 10522130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).