4-(furan-2-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-pyridin-4-ylpyrimidin-2-amine

C21H25N5O — CID 155982497

IUPAC4-(furan-2-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-pyridin-4-ylpyrimidin-2-amine
SMILESCC1CCN(CCNc2ncc(-c3ccncc3)c(-c3ccco3)n2)CC1
InChIInChI=1S/C21H25N5O/c1-16-6-11-26(12-7-16)13-10-23-21-24-15-18(17-4-8-22-9-5-17)20(25-21)19-3-2-14-27-19/h2-5,8-9,14-16H,6-7,10-13H2,1H3,(H,23,24,25)
InChIKeyMJPTXFYOBZBKRG-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.94
Rot. Bonds6

About 4-(furan-2-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-pyridin-4-ylpyrimidin-2-amine

4-(furan-2-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-pyridin-4-ylpyrimidin-2-amine (PubChem CID 155982497) has the molecular formula C21H25N5O and a molecular weight of 363.46 g/mol. Its IUPAC name is 4-(furan-2-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-pyridin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(furan-2-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-pyridin-4-ylpyrimidin-2-amine
PubChem CID155982497
Molecular FormulaC21H25N5O
Molecular Weight363.46 g/mol
Exact Mass363.21
IUPAC Name4-(furan-2-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-pyridin-4-ylpyrimidin-2-amine
SMILESCC1CCN(CCNc2ncc(-c3ccncc3)c(-c3ccco3)n2)CC1
InChIInChI=1S/C21H25N5O/c1-16-6-11-26(12-7-16)13-10-23-21-24-15-18(17-4-8-22-9-5-17)20(25-21)19-3-2-14-27-19/h2-5,8-9,14-16H,6-7,10-13H2,1H3,(H,23,24,25)
InChIKeyMJPTXFYOBZBKRG-UHFFFAOYSA-N
XLogP3.94
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-pyridin-4-ylpyrimidin-2-amine?
The IUPAC name of 4-(furan-2-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-pyridin-4-ylpyrimidin-2-amine (CID 155982497) is 4-(furan-2-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-pyridin-4-ylpyrimidin-2-amine.
What is the SMILES notation for 4-(furan-2-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-pyridin-4-ylpyrimidin-2-amine?
The canonical SMILES for 4-(furan-2-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-pyridin-4-ylpyrimidin-2-amine is CC1CCN(CCNc2ncc(-c3ccncc3)c(-c3ccco3)n2)CC1.
What is the InChIKey of 4-(furan-2-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-pyridin-4-ylpyrimidin-2-amine?
The InChIKey is MJPTXFYOBZBKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-16-6-11-26(12-7-16)13-10-23-21-24-15-18(17-4-8-22-9-5-17)20(25-21)19-3-2-14-27-19/h2-5,8-9,14-16H,6-7,10-13H2,1H3,(H,23,24,25).
What are the key properties of 4-(furan-2-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-pyridin-4-ylpyrimidin-2-amine?
4-(furan-2-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-pyridin-4-ylpyrimidin-2-amine has a molecular weight of 363.46 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-pyridin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 155982497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).