2-butyl-6-methyl-7-(4-piperidin-1-ylbutyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine

C20H33N5 — CID 74767149

IUPAC2-butyl-6-methyl-7-(4-piperidin-1-ylbutyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine
SMILESCCCCc1nc(N)c2[nH]c(C)c(CCCCN3CCCCC3)c2n1
InChIInChI=1S/C20H33N5/c1-3-4-11-17-23-18-16(15(2)22-19(18)20(21)24-17)10-6-9-14-25-12-7-5-8-13-25/h22H,3-14H2,1-2H3,(H2,21,23,24)
InChIKeyYDSBKNJZTMGORA-UHFFFAOYSA-N
MW343.52 g/mol
LogP4.00
Rot. Bonds8

About 2-butyl-6-methyl-7-(4-piperidin-1-ylbutyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine

2-butyl-6-methyl-7-(4-piperidin-1-ylbutyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine (PubChem CID 74767149) has the molecular formula C20H33N5 and a molecular weight of 343.52 g/mol. Its IUPAC name is 2-butyl-6-methyl-7-(4-piperidin-1-ylbutyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-butyl-6-methyl-7-(4-piperidin-1-ylbutyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine
PubChem CID74767149
Molecular FormulaC20H33N5
Molecular Weight343.52 g/mol
Exact Mass343.27
IUPAC Name2-butyl-6-methyl-7-(4-piperidin-1-ylbutyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine
SMILESCCCCc1nc(N)c2[nH]c(C)c(CCCCN3CCCCC3)c2n1
InChIInChI=1S/C20H33N5/c1-3-4-11-17-23-18-16(15(2)22-19(18)20(21)24-17)10-6-9-14-25-12-7-5-8-13-25/h22H,3-14H2,1-2H3,(H2,21,23,24)
InChIKeyYDSBKNJZTMGORA-UHFFFAOYSA-N
XLogP4.00
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.52
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-6-methyl-7-(4-piperidin-1-ylbutyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-butyl-6-methyl-7-(4-piperidin-1-ylbutyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine (CID 74767149) is 2-butyl-6-methyl-7-(4-piperidin-1-ylbutyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-butyl-6-methyl-7-(4-piperidin-1-ylbutyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-butyl-6-methyl-7-(4-piperidin-1-ylbutyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine is CCCCc1nc(N)c2[nH]c(C)c(CCCCN3CCCCC3)c2n1.
What is the InChIKey of 2-butyl-6-methyl-7-(4-piperidin-1-ylbutyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine?
The InChIKey is YDSBKNJZTMGORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5/c1-3-4-11-17-23-18-16(15(2)22-19(18)20(21)24-17)10-6-9-14-25-12-7-5-8-13-25/h22H,3-14H2,1-2H3,(H2,21,23,24).
What are the key properties of 2-butyl-6-methyl-7-(4-piperidin-1-ylbutyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine?
2-butyl-6-methyl-7-(4-piperidin-1-ylbutyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine has a molecular weight of 343.52 g/mol, XLogP of 4.00, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-6-methyl-7-(4-piperidin-1-ylbutyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 74767149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).