6-(4-chlorophenyl)-5-methyl-N-(2-piperidin-1-ylethyl)furo[2,3-d]pyrimidin-4-amine

C20H23ClN4O — CID 11552448

IUPAC6-(4-chlorophenyl)-5-methyl-N-(2-piperidin-1-ylethyl)furo[2,3-d]pyrimidin-4-amine
SMILESCc1c(-c2ccc(Cl)cc2)oc2ncnc(NCCN3CCCCC3)c12
InChIInChI=1S/C20H23ClN4O/c1-14-17-19(22-9-12-25-10-3-2-4-11-25)23-13-24-20(17)26-18(14)15-5-7-16(21)8-6-15/h5-8,13H,2-4,9-12H2,1H3,(H,22,23,24)
InChIKeyGBDMZSPMVVJSKY-UHFFFAOYSA-N
MW370.88 g/mol
LogP4.75
Rot. Bonds5

About 6-(4-chlorophenyl)-5-methyl-N-(2-piperidin-1-ylethyl)furo[2,3-d]pyrimidin-4-amine

6-(4-chlorophenyl)-5-methyl-N-(2-piperidin-1-ylethyl)furo[2,3-d]pyrimidin-4-amine (PubChem CID 11552448) has the molecular formula C20H23ClN4O and a molecular weight of 370.88 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-5-methyl-N-(2-piperidin-1-ylethyl)furo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-chlorophenyl)-5-methyl-N-(2-piperidin-1-ylethyl)furo[2,3-d]pyrimidin-4-amine
PubChem CID11552448
Molecular FormulaC20H23ClN4O
Molecular Weight370.88 g/mol
Exact Mass370.16
IUPAC Name6-(4-chlorophenyl)-5-methyl-N-(2-piperidin-1-ylethyl)furo[2,3-d]pyrimidin-4-amine
SMILESCc1c(-c2ccc(Cl)cc2)oc2ncnc(NCCN3CCCCC3)c12
InChIInChI=1S/C20H23ClN4O/c1-14-17-19(22-9-12-25-10-3-2-4-11-25)23-13-24-20(17)26-18(14)15-5-7-16(21)8-6-15/h5-8,13H,2-4,9-12H2,1H3,(H,22,23,24)
InChIKeyGBDMZSPMVVJSKY-UHFFFAOYSA-N
XLogP4.75
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-5-methyl-N-(2-piperidin-1-ylethyl)furo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-(4-chlorophenyl)-5-methyl-N-(2-piperidin-1-ylethyl)furo[2,3-d]pyrimidin-4-amine (CID 11552448) is 6-(4-chlorophenyl)-5-methyl-N-(2-piperidin-1-ylethyl)furo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(4-chlorophenyl)-5-methyl-N-(2-piperidin-1-ylethyl)furo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-(4-chlorophenyl)-5-methyl-N-(2-piperidin-1-ylethyl)furo[2,3-d]pyrimidin-4-amine is Cc1c(-c2ccc(Cl)cc2)oc2ncnc(NCCN3CCCCC3)c12.
What is the InChIKey of 6-(4-chlorophenyl)-5-methyl-N-(2-piperidin-1-ylethyl)furo[2,3-d]pyrimidin-4-amine?
The InChIKey is GBDMZSPMVVJSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O/c1-14-17-19(22-9-12-25-10-3-2-4-11-25)23-13-24-20(17)26-18(14)15-5-7-16(21)8-6-15/h5-8,13H,2-4,9-12H2,1H3,(H,22,23,24).
What are the key properties of 6-(4-chlorophenyl)-5-methyl-N-(2-piperidin-1-ylethyl)furo[2,3-d]pyrimidin-4-amine?
6-(4-chlorophenyl)-5-methyl-N-(2-piperidin-1-ylethyl)furo[2,3-d]pyrimidin-4-amine has a molecular weight of 370.88 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-5-methyl-N-(2-piperidin-1-ylethyl)furo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 11552448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).