N-(1-benzylpiperidin-4-yl)-2-(4-methyl-1,4-diazepan-1-yl)furo[3,2-d]pyrimidin-4-amine

C24H32N6O — CID 122191211

IUPACN-(1-benzylpiperidin-4-yl)-2-(4-methyl-1,4-diazepan-1-yl)furo[3,2-d]pyrimidin-4-amine
SMILESCN1CCCN(c2nc(NC3CCN(Cc4ccccc4)CC3)c3occc3n2)CC1
InChIInChI=1S/C24H32N6O/c1-28-11-5-12-30(16-15-28)24-26-21-10-17-31-22(21)23(27-24)25-20-8-13-29(14-9-20)18-19-6-3-2-4-7-19/h2-4,6-7,10,17,20H,5,8-9,11-16,18H2,1H3,(H,25,26,27)
InChIKeyGHQXRMUOCZKOBY-UHFFFAOYSA-N
MW420.56 g/mol
LogP3.44
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-2-(4-methyl-1,4-diazepan-1-yl)furo[3,2-d]pyrimidin-4-amine

N-(1-benzylpiperidin-4-yl)-2-(4-methyl-1,4-diazepan-1-yl)furo[3,2-d]pyrimidin-4-amine (PubChem CID 122191211) has the molecular formula C24H32N6O and a molecular weight of 420.56 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-(4-methyl-1,4-diazepan-1-yl)furo[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-(4-methyl-1,4-diazepan-1-yl)furo[3,2-d]pyrimidin-4-amine
PubChem CID122191211
Molecular FormulaC24H32N6O
Molecular Weight420.56 g/mol
Exact Mass420.26
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-(4-methyl-1,4-diazepan-1-yl)furo[3,2-d]pyrimidin-4-amine
SMILESCN1CCCN(c2nc(NC3CCN(Cc4ccccc4)CC3)c3occc3n2)CC1
InChIInChI=1S/C24H32N6O/c1-28-11-5-12-30(16-15-28)24-26-21-10-17-31-22(21)23(27-24)25-20-8-13-29(14-9-20)18-19-6-3-2-4-7-19/h2-4,6-7,10,17,20H,5,8-9,11-16,18H2,1H3,(H,25,26,27)
InChIKeyGHQXRMUOCZKOBY-UHFFFAOYSA-N
XLogP3.44
TPSA60.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-(4-methyl-1,4-diazepan-1-yl)furo[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-(4-methyl-1,4-diazepan-1-yl)furo[3,2-d]pyrimidin-4-amine (CID 122191211) is N-(1-benzylpiperidin-4-yl)-2-(4-methyl-1,4-diazepan-1-yl)furo[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-(4-methyl-1,4-diazepan-1-yl)furo[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-(4-methyl-1,4-diazepan-1-yl)furo[3,2-d]pyrimidin-4-amine is CN1CCCN(c2nc(NC3CCN(Cc4ccccc4)CC3)c3occc3n2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-(4-methyl-1,4-diazepan-1-yl)furo[3,2-d]pyrimidin-4-amine?
The InChIKey is GHQXRMUOCZKOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O/c1-28-11-5-12-30(16-15-28)24-26-21-10-17-31-22(21)23(27-24)25-20-8-13-29(14-9-20)18-19-6-3-2-4-7-19/h2-4,6-7,10,17,20H,5,8-9,11-16,18H2,1H3,(H,25,26,27).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-(4-methyl-1,4-diazepan-1-yl)furo[3,2-d]pyrimidin-4-amine?
N-(1-benzylpiperidin-4-yl)-2-(4-methyl-1,4-diazepan-1-yl)furo[3,2-d]pyrimidin-4-amine has a molecular weight of 420.56 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-(4-methyl-1,4-diazepan-1-yl)furo[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 122191211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).