4-[4-(furan-2-ylmethyl)piperazin-1-yl]-6-methylpyrimidin-2-amine

C14H19N5O — CID 56810604

IUPAC4-[4-(furan-2-ylmethyl)piperazin-1-yl]-6-methylpyrimidin-2-amine
SMILESCc1cc(N2CCN(Cc3ccco3)CC2)nc(N)n1
InChIInChI=1S/C14H19N5O/c1-11-9-13(17-14(15)16-11)19-6-4-18(5-7-19)10-12-3-2-8-20-12/h2-3,8-9H,4-7,10H2,1H3,(H2,15,16,17)
InChIKeyWPPSUHHGQXOHCB-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.28
Rot. Bonds3

About 4-[4-(furan-2-ylmethyl)piperazin-1-yl]-6-methylpyrimidin-2-amine

4-[4-(furan-2-ylmethyl)piperazin-1-yl]-6-methylpyrimidin-2-amine (PubChem CID 56810604) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-[4-(furan-2-ylmethyl)piperazin-1-yl]-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-(furan-2-ylmethyl)piperazin-1-yl]-6-methylpyrimidin-2-amine
PubChem CID56810604
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name4-[4-(furan-2-ylmethyl)piperazin-1-yl]-6-methylpyrimidin-2-amine
SMILESCc1cc(N2CCN(Cc3ccco3)CC2)nc(N)n1
InChIInChI=1S/C14H19N5O/c1-11-9-13(17-14(15)16-11)19-6-4-18(5-7-19)10-12-3-2-8-20-12/h2-3,8-9H,4-7,10H2,1H3,(H2,15,16,17)
InChIKeyWPPSUHHGQXOHCB-UHFFFAOYSA-N
XLogP1.28
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(furan-2-ylmethyl)piperazin-1-yl]-6-methylpyrimidin-2-amine?
The IUPAC name of 4-[4-(furan-2-ylmethyl)piperazin-1-yl]-6-methylpyrimidin-2-amine (CID 56810604) is 4-[4-(furan-2-ylmethyl)piperazin-1-yl]-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-[4-(furan-2-ylmethyl)piperazin-1-yl]-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-[4-(furan-2-ylmethyl)piperazin-1-yl]-6-methylpyrimidin-2-amine is Cc1cc(N2CCN(Cc3ccco3)CC2)nc(N)n1.
What is the InChIKey of 4-[4-(furan-2-ylmethyl)piperazin-1-yl]-6-methylpyrimidin-2-amine?
The InChIKey is WPPSUHHGQXOHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-11-9-13(17-14(15)16-11)19-6-4-18(5-7-19)10-12-3-2-8-20-12/h2-3,8-9H,4-7,10H2,1H3,(H2,15,16,17).
What are the key properties of 4-[4-(furan-2-ylmethyl)piperazin-1-yl]-6-methylpyrimidin-2-amine?
4-[4-(furan-2-ylmethyl)piperazin-1-yl]-6-methylpyrimidin-2-amine has a molecular weight of 273.34 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(furan-2-ylmethyl)piperazin-1-yl]-6-methylpyrimidin-2-amine is sourced from PubChem (CID 56810604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).