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

C18H19BrN4 — CID 10714258

IUPAC7-bromo-2-methyl-6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
SMILESCc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)c(Br)c2n1
InChIInChI=1S/C18H19BrN4/c1-12-20-16-14(19)15(13-8-4-2-5-9-13)22-17(16)18(21-12)23-10-6-3-7-11-23/h2,4-5,8-9,22H,3,6-7,10-11H2,1H3
InChIKeyVGNPWXVVAMFRIA-UHFFFAOYSA-N
MW371.28 g/mol
LogP4.69
Rot. Bonds2

About 7-bromo-2-methyl-6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine

7-bromo-2-methyl-6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine (PubChem CID 10714258) has the molecular formula C18H19BrN4 and a molecular weight of 371.28 g/mol. Its IUPAC name is 7-bromo-2-methyl-6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name7-bromo-2-methyl-6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
PubChem CID10714258
Molecular FormulaC18H19BrN4
Molecular Weight371.28 g/mol
Exact Mass370.08
IUPAC Name7-bromo-2-methyl-6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
SMILESCc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)c(Br)c2n1
InChIInChI=1S/C18H19BrN4/c1-12-20-16-14(19)15(13-8-4-2-5-9-13)22-17(16)18(21-12)23-10-6-3-7-11-23/h2,4-5,8-9,22H,3,6-7,10-11H2,1H3
InChIKeyVGNPWXVVAMFRIA-UHFFFAOYSA-N
XLogP4.69
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.28
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 11617054
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5H-Pyrrolo(3,2-d)pyrimidine, 2-methyl-4-(4-morpholinyl)-6-phenyl-
CID 3087469
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4-N-(3-bromophenyl)-9H-pyrimido[4,5-b]indole-2,4-diamine
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8-propyl-2,6-diphenyl-9H-purine
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2,6-bis(4-tolyl)-9H-purine
CID 11709210
2-Benzyl-4-piperazin-1-yl-1H-benzimidazole
CID 45488131
4-(2,3-Dibutylimidazo[4,5-b]pyridin-5-yl)pyridine-2,6-diamine
CID 135335840

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-methyl-6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine?
The IUPAC name of 7-bromo-2-methyl-6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine (CID 10714258) is 7-bromo-2-methyl-6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for 7-bromo-2-methyl-6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine?
The canonical SMILES for 7-bromo-2-methyl-6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine is Cc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)c(Br)c2n1.
What is the InChIKey of 7-bromo-2-methyl-6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine?
The InChIKey is VGNPWXVVAMFRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN4/c1-12-20-16-14(19)15(13-8-4-2-5-9-13)22-17(16)18(21-12)23-10-6-3-7-11-23/h2,4-5,8-9,22H,3,6-7,10-11H2,1H3.
What are the key properties of 7-bromo-2-methyl-6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine?
7-bromo-2-methyl-6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine has a molecular weight of 371.28 g/mol, XLogP of 4.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-methyl-6-phenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 10714258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).