2-methyl-N-[(5-methylfuran-2-yl)methyl]-6-piperidin-4-ylpyrimidin-4-amine

C16H22N4O — CID 45247626

IUPAC2-methyl-N-[(5-methylfuran-2-yl)methyl]-6-piperidin-4-ylpyrimidin-4-amine
SMILESCc1nc(NCc2ccc(C)o2)cc(C2CCNCC2)n1
InChIInChI=1S/C16H22N4O/c1-11-3-4-14(21-11)10-18-16-9-15(19-12(2)20-16)13-5-7-17-8-6-13/h3-4,9,13,17H,5-8,10H2,1-2H3,(H,18,19,20)
InChIKeyFGZACOMIXKSQMI-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.77
Rot. Bonds4

About 2-methyl-N-[(5-methylfuran-2-yl)methyl]-6-piperidin-4-ylpyrimidin-4-amine

2-methyl-N-[(5-methylfuran-2-yl)methyl]-6-piperidin-4-ylpyrimidin-4-amine (PubChem CID 45247626) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-methyl-N-[(5-methylfuran-2-yl)methyl]-6-piperidin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-[(5-methylfuran-2-yl)methyl]-6-piperidin-4-ylpyrimidin-4-amine
PubChem CID45247626
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-methyl-N-[(5-methylfuran-2-yl)methyl]-6-piperidin-4-ylpyrimidin-4-amine
SMILESCc1nc(NCc2ccc(C)o2)cc(C2CCNCC2)n1
InChIInChI=1S/C16H22N4O/c1-11-3-4-14(21-11)10-18-16-9-15(19-12(2)20-16)13-5-7-17-8-6-13/h3-4,9,13,17H,5-8,10H2,1-2H3,(H,18,19,20)
InChIKeyFGZACOMIXKSQMI-UHFFFAOYSA-N
XLogP2.77
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(5-methylfuran-2-yl)methyl]-6-piperidin-4-ylpyrimidin-4-amine?
The IUPAC name of 2-methyl-N-[(5-methylfuran-2-yl)methyl]-6-piperidin-4-ylpyrimidin-4-amine (CID 45247626) is 2-methyl-N-[(5-methylfuran-2-yl)methyl]-6-piperidin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-[(5-methylfuran-2-yl)methyl]-6-piperidin-4-ylpyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-[(5-methylfuran-2-yl)methyl]-6-piperidin-4-ylpyrimidin-4-amine is Cc1nc(NCc2ccc(C)o2)cc(C2CCNCC2)n1.
What is the InChIKey of 2-methyl-N-[(5-methylfuran-2-yl)methyl]-6-piperidin-4-ylpyrimidin-4-amine?
The InChIKey is FGZACOMIXKSQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-11-3-4-14(21-11)10-18-16-9-15(19-12(2)20-16)13-5-7-17-8-6-13/h3-4,9,13,17H,5-8,10H2,1-2H3,(H,18,19,20).
What are the key properties of 2-methyl-N-[(5-methylfuran-2-yl)methyl]-6-piperidin-4-ylpyrimidin-4-amine?
2-methyl-N-[(5-methylfuran-2-yl)methyl]-6-piperidin-4-ylpyrimidin-4-amine has a molecular weight of 286.38 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(5-methylfuran-2-yl)methyl]-6-piperidin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 45247626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).