4-(5-methylfuran-2-yl)-2-(1-methylpiperazin-2-yl)pyrimidine

C14H18N4O — CID 116901849

IUPAC4-(5-methylfuran-2-yl)-2-(1-methylpiperazin-2-yl)pyrimidine
SMILESCc1ccc(-c2ccnc(C3CNCCN3C)n2)o1
InChIInChI=1S/C14H18N4O/c1-10-3-4-13(19-10)11-5-6-16-14(17-11)12-9-15-7-8-18(12)2/h3-6,12,15H,7-9H2,1-2H3
InChIKeyMEJVXINYIIEFIA-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.62
Rot. Bonds2

About 4-(5-methylfuran-2-yl)-2-(1-methylpiperazin-2-yl)pyrimidine

4-(5-methylfuran-2-yl)-2-(1-methylpiperazin-2-yl)pyrimidine (PubChem CID 116901849) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-(5-methylfuran-2-yl)-2-(1-methylpiperazin-2-yl)pyrimidine.

Molecular Properties

Compound Name4-(5-methylfuran-2-yl)-2-(1-methylpiperazin-2-yl)pyrimidine
PubChem CID116901849
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name4-(5-methylfuran-2-yl)-2-(1-methylpiperazin-2-yl)pyrimidine
SMILESCc1ccc(-c2ccnc(C3CNCCN3C)n2)o1
InChIInChI=1S/C14H18N4O/c1-10-3-4-13(19-10)11-5-6-16-14(17-11)12-9-15-7-8-18(12)2/h3-6,12,15H,7-9H2,1-2H3
InChIKeyMEJVXINYIIEFIA-UHFFFAOYSA-N
XLogP1.62
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(5-methylfuran-2-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120957486
4-(5-methylfuran-2-yl)-2-piperidin-3-ylpyrimidine
CID 116898890
5-(5-methylfuran-2-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120957485
2-(1-methylpiperazin-2-yl)-4-pyridin-2-ylpyrimidine
CID 116901846
4-(5-bromothiophen-2-yl)-2-(1-methylpiperazin-2-yl)pyrimidine
CID 116901839
4-(5-methylfuran-2-yl)-2-(pyrrolidin-3-ylmethyl)pyrimidine
CID 116898947
3-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]cyclobutan-1-amine
CID 116899196
(2S)-2-(1H-imidazol-2-yl)-1-methylpiperazine
CID 96902399
3-methyl-6-(1-methylpiperazin-2-yl)quinoline
CID 116997812
5-(2-methylphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120959013
(2R)-1-methyl-2-pyridin-4-ylpiperazine
CID 28804916
1-methyl-2-(5-methyl-1H-imidazol-2-yl)piperazine
CID 116881081

Frequently Asked Questions

What is the IUPAC name of 4-(5-methylfuran-2-yl)-2-(1-methylpiperazin-2-yl)pyrimidine?
The IUPAC name of 4-(5-methylfuran-2-yl)-2-(1-methylpiperazin-2-yl)pyrimidine (CID 116901849) is 4-(5-methylfuran-2-yl)-2-(1-methylpiperazin-2-yl)pyrimidine.
What is the SMILES notation for 4-(5-methylfuran-2-yl)-2-(1-methylpiperazin-2-yl)pyrimidine?
The canonical SMILES for 4-(5-methylfuran-2-yl)-2-(1-methylpiperazin-2-yl)pyrimidine is Cc1ccc(-c2ccnc(C3CNCCN3C)n2)o1.
What is the InChIKey of 4-(5-methylfuran-2-yl)-2-(1-methylpiperazin-2-yl)pyrimidine?
The InChIKey is MEJVXINYIIEFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10-3-4-13(19-10)11-5-6-16-14(17-11)12-9-15-7-8-18(12)2/h3-6,12,15H,7-9H2,1-2H3.
What are the key properties of 4-(5-methylfuran-2-yl)-2-(1-methylpiperazin-2-yl)pyrimidine?
4-(5-methylfuran-2-yl)-2-(1-methylpiperazin-2-yl)pyrimidine has a molecular weight of 258.32 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylfuran-2-yl)-2-(1-methylpiperazin-2-yl)pyrimidine is sourced from PubChem (CID 116901849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).