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

C20H24N4 — CID 10498512

IUPAC6-phenyl-4-piperidin-1-yl-2-propyl-5H-pyrrolo[3,2-d]pyrimidine
SMILESCCCc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1
InChIInChI=1S/C20H24N4/c1-2-9-18-21-17-14-16(15-10-5-3-6-11-15)22-19(17)20(23-18)24-12-7-4-8-13-24/h3,5-6,10-11,14,22H,2,4,7-9,12-13H2,1H3
InChIKeyWOQKKVHGAHVPNQ-UHFFFAOYSA-N
MW320.44 g/mol
LogP4.57
Rot. Bonds4

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

6-phenyl-4-piperidin-1-yl-2-propyl-5H-pyrrolo[3,2-d]pyrimidine (PubChem CID 10498512) has the molecular formula C20H24N4 and a molecular weight of 320.44 g/mol. Its IUPAC name is 6-phenyl-4-piperidin-1-yl-2-propyl-5H-pyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name6-phenyl-4-piperidin-1-yl-2-propyl-5H-pyrrolo[3,2-d]pyrimidine
PubChem CID10498512
Molecular FormulaC20H24N4
Molecular Weight320.44 g/mol
Exact Mass320.20
IUPAC Name6-phenyl-4-piperidin-1-yl-2-propyl-5H-pyrrolo[3,2-d]pyrimidine
SMILESCCCc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1
InChIInChI=1S/C20H24N4/c1-2-9-18-21-17-14-16(15-10-5-3-6-11-15)22-19(17)20(23-18)24-12-7-4-8-13-24/h3,5-6,10-11,14,22H,2,4,7-9,12-13H2,1H3
InChIKeyWOQKKVHGAHVPNQ-UHFFFAOYSA-N
XLogP4.57
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-4-piperidin-1-yl-2-propyl-5H-pyrrolo[3,2-d]pyrimidine?
The IUPAC name of 6-phenyl-4-piperidin-1-yl-2-propyl-5H-pyrrolo[3,2-d]pyrimidine (CID 10498512) is 6-phenyl-4-piperidin-1-yl-2-propyl-5H-pyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for 6-phenyl-4-piperidin-1-yl-2-propyl-5H-pyrrolo[3,2-d]pyrimidine?
The canonical SMILES for 6-phenyl-4-piperidin-1-yl-2-propyl-5H-pyrrolo[3,2-d]pyrimidine is CCCc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1.
What is the InChIKey of 6-phenyl-4-piperidin-1-yl-2-propyl-5H-pyrrolo[3,2-d]pyrimidine?
The InChIKey is WOQKKVHGAHVPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4/c1-2-9-18-21-17-14-16(15-10-5-3-6-11-15)22-19(17)20(23-18)24-12-7-4-8-13-24/h3,5-6,10-11,14,22H,2,4,7-9,12-13H2,1H3.
What are the key properties of 6-phenyl-4-piperidin-1-yl-2-propyl-5H-pyrrolo[3,2-d]pyrimidine?
6-phenyl-4-piperidin-1-yl-2-propyl-5H-pyrrolo[3,2-d]pyrimidine has a molecular weight of 320.44 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-4-piperidin-1-yl-2-propyl-5H-pyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 10498512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).