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

C19H22N4 — CID 10831203

IUPAC2-ethyl-6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
SMILESCCc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1
InChIInChI=1S/C19H22N4/c1-2-17-20-16-13-15(14-9-5-3-6-10-14)21-18(16)19(22-17)23-11-7-4-8-12-23/h3,5-6,9-10,13,21H,2,4,7-8,11-12H2,1H3
InChIKeyKXVJZDQXLJSKOJ-UHFFFAOYSA-N
MW306.41 g/mol
LogP4.18
Rot. Bonds3

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

2-ethyl-6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine (PubChem CID 10831203) has the molecular formula C19H22N4 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-ethyl-6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-ethyl-6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
PubChem CID10831203
Molecular FormulaC19H22N4
Molecular Weight306.41 g/mol
Exact Mass306.18
IUPAC Name2-ethyl-6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
SMILESCCc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1
InChIInChI=1S/C19H22N4/c1-2-17-20-16-13-15(14-9-5-3-6-10-14)21-18(16)19(22-17)23-11-7-4-8-12-23/h3,5-6,9-10,13,21H,2,4,7-8,11-12H2,1H3
InChIKeyKXVJZDQXLJSKOJ-UHFFFAOYSA-N
XLogP4.18
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine?
The IUPAC name of 2-ethyl-6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine (CID 10831203) is 2-ethyl-6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for 2-ethyl-6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine?
The canonical SMILES for 2-ethyl-6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine is CCc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1.
What is the InChIKey of 2-ethyl-6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine?
The InChIKey is KXVJZDQXLJSKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4/c1-2-17-20-16-13-15(14-9-5-3-6-10-14)21-18(16)19(22-17)23-11-7-4-8-12-23/h3,5-6,9-10,13,21H,2,4,7-8,11-12H2,1H3.
What are the key properties of 2-ethyl-6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine?
2-ethyl-6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine has a molecular weight of 306.41 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 10831203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).