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

C17H26N4 — CID 10758227

IUPAC2-methyl-6-pentyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
SMILESCCCCCc1cc2nc(C)nc(N3CCCCC3)c2[nH]1
InChIInChI=1S/C17H26N4/c1-3-4-6-9-14-12-15-16(20-14)17(19-13(2)18-15)21-10-7-5-8-11-21/h12,20H,3-11H2,1-2H3
InChIKeyMNQUEEVCOXSORH-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.99
Rot. Bonds5

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

2-methyl-6-pentyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine (PubChem CID 10758227) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-methyl-6-pentyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-methyl-6-pentyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
PubChem CID10758227
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC Name2-methyl-6-pentyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
SMILESCCCCCc1cc2nc(C)nc(N3CCCCC3)c2[nH]1
InChIInChI=1S/C17H26N4/c1-3-4-6-9-14-12-15-16(20-14)17(19-13(2)18-15)21-10-7-5-8-11-21/h12,20H,3-11H2,1-2H3
InChIKeyMNQUEEVCOXSORH-UHFFFAOYSA-N
XLogP3.99
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-((4-pyridin-2-ylpiperazine-1-yl)methyl)-1H-benzimidazole
CID 5025739
5H-Pyrrolo(3,2-d)pyrimidin-4-amine
CID 5287565
Ezeprogind
CID 10252009
7H-Adenine, N-(p-fluorophenyl)-
CID 51998
8-isopropyl-2,6-diphenyl-9H-purine
CID 11536936
N2-[4-(4-methylpiperazin-1-yl)phenyl]-N8-phenyl-9-propan-2-yl-purine-2,8-diamine
CID 54759842
2-(pyridin-2-yl)-1H-imidazo(4,5-c)pyridine
CID 947740
2,6-Dimethyl-8-ethyl-1-deazapurine
CID 9815374
Sotirimod
CID 6450818
1H-Benzimidazol-2-amine, N-(4,6-dimethyl-2-pyrimidinyl)-
CID 73249
5H-Pyrrolo(3,2-d)pyrimidine, 2-methyl-4-(4-morpholinyl)-6-phenyl-
CID 3087469
N-purin-6-ylaniline
CID 71029

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-pentyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine?
The IUPAC name of 2-methyl-6-pentyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine (CID 10758227) is 2-methyl-6-pentyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for 2-methyl-6-pentyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine?
The canonical SMILES for 2-methyl-6-pentyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine is CCCCCc1cc2nc(C)nc(N3CCCCC3)c2[nH]1.
What is the InChIKey of 2-methyl-6-pentyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine?
The InChIKey is MNQUEEVCOXSORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-3-4-6-9-14-12-15-16(20-14)17(19-13(2)18-15)21-10-7-5-8-11-21/h12,20H,3-11H2,1-2H3.
What are the key properties of 2-methyl-6-pentyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine?
2-methyl-6-pentyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine has a molecular weight of 286.42 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-pentyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 10758227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).