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

C23H30N6O — CID 122191212

IUPACN-(1-benzylpiperidin-4-yl)-2-(4-methylpiperazin-1-yl)furo[3,2-d]pyrimidin-4-amine
SMILESCN1CCN(c2nc(NC3CCN(Cc4ccccc4)CC3)c3occc3n2)CC1
InChIInChI=1S/C23H30N6O/c1-27-12-14-29(15-13-27)23-25-20-9-16-30-21(20)22(26-23)24-19-7-10-28(11-8-19)17-18-5-3-2-4-6-18/h2-6,9,16,19H,7-8,10-15,17H2,1H3,(H,24,25,26)
InChIKeyQCIWQCGKDSERDW-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.05
Rot. Bonds5

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

N-(1-benzylpiperidin-4-yl)-2-(4-methylpiperazin-1-yl)furo[3,2-d]pyrimidin-4-amine (PubChem CID 122191212) has the molecular formula C23H30N6O and a molecular weight of 406.53 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-(4-methylpiperazin-1-yl)furo[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-(4-methylpiperazin-1-yl)furo[3,2-d]pyrimidin-4-amine
PubChem CID122191212
Molecular FormulaC23H30N6O
Molecular Weight406.53 g/mol
Exact Mass406.25
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-(4-methylpiperazin-1-yl)furo[3,2-d]pyrimidin-4-amine
SMILESCN1CCN(c2nc(NC3CCN(Cc4ccccc4)CC3)c3occc3n2)CC1
InChIInChI=1S/C23H30N6O/c1-27-12-14-29(15-13-27)23-25-20-9-16-30-21(20)22(26-23)24-19-7-10-28(11-8-19)17-18-5-3-2-4-6-18/h2-6,9,16,19H,7-8,10-15,17H2,1H3,(H,24,25,26)
InChIKeyQCIWQCGKDSERDW-UHFFFAOYSA-N
XLogP3.05
TPSA60.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.05
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-methylpiperazin-1-yl)furo[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-(4-methylpiperazin-1-yl)furo[3,2-d]pyrimidin-4-amine (CID 122191212) is N-(1-benzylpiperidin-4-yl)-2-(4-methylpiperazin-1-yl)furo[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-(4-methylpiperazin-1-yl)furo[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-(4-methylpiperazin-1-yl)furo[3,2-d]pyrimidin-4-amine is CN1CCN(c2nc(NC3CCN(Cc4ccccc4)CC3)c3occc3n2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-(4-methylpiperazin-1-yl)furo[3,2-d]pyrimidin-4-amine?
The InChIKey is QCIWQCGKDSERDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O/c1-27-12-14-29(15-13-27)23-25-20-9-16-30-21(20)22(26-23)24-19-7-10-28(11-8-19)17-18-5-3-2-4-6-18/h2-6,9,16,19H,7-8,10-15,17H2,1H3,(H,24,25,26).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-(4-methylpiperazin-1-yl)furo[3,2-d]pyrimidin-4-amine?
N-(1-benzylpiperidin-4-yl)-2-(4-methylpiperazin-1-yl)furo[3,2-d]pyrimidin-4-amine has a molecular weight of 406.53 g/mol, XLogP of 3.05, 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-methylpiperazin-1-yl)furo[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 122191212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).