1-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]piperidin-4-amine

C14H18N4O — CID 116976142

IUPAC1-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]piperidin-4-amine
SMILESCc1ccc(-c2cnc(N3CCC(N)CC3)nc2)o1
InChIInChI=1S/C14H18N4O/c1-10-2-3-13(19-10)11-8-16-14(17-9-11)18-6-4-12(15)5-7-18/h2-3,8-9,12H,4-7,15H2,1H3
InChIKeyHPMLOJFESZQSHK-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.97
Rot. Bonds2

About 1-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]piperidin-4-amine

1-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]piperidin-4-amine (PubChem CID 116976142) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]piperidin-4-amine
PubChem CID116976142
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name1-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]piperidin-4-amine
SMILESCc1ccc(-c2cnc(N3CCC(N)CC3)nc2)o1
InChIInChI=1S/C14H18N4O/c1-10-2-3-13(19-10)11-8-16-14(17-9-11)18-6-4-12(15)5-7-18/h2-3,8-9,12H,4-7,15H2,1H3
InChIKeyHPMLOJFESZQSHK-UHFFFAOYSA-N
XLogP1.97
TPSA68.18 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 ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]pyrrolidin-3-amine
CID 116976731
1-[5-(2-methylphenyl)pyrimidin-2-yl]piperidin-4-amine
CID 117224077
1-(5-pyridin-4-ylpyrimidin-2-yl)piperidin-4-amine
CID 116976141
1-[5-(4-methylphenoxy)pyrimidin-2-yl]piperidin-4-amine
CID 117224507
1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-amine
CID 103278591
1-[5-(5-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine
CID 102793344
pentyl N-[2,6-difluoro-4-[3-[1-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]piperidin-4-yl]propoxy]phenyl]carbamate
CID 142753335
1-(4-methyl-5-phenylpyrimidin-2-yl)piperidin-4-amine
CID 103278594
2-fluoro-N-[(2S)-2-hydroxypropyl]-4-[3-[1-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]piperidin-4-yl]propoxy]benzamide
CID 142753228
2-fluoro-N-[(1S,2R)-2-hydroxycyclopentyl]-4-[3-[1-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]piperidin-4-yl]propoxy]benzamide
CID 142753266
1-[5-[(3-methylphenyl)methyl]pyrimidin-2-yl]piperidin-4-amine
CID 117224089
1-[5-(1-benzofuran-2-yl)pyrimidin-2-yl]piperidin-4-ol
CID 150504455

Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]piperidin-4-amine?
The IUPAC name of 1-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]piperidin-4-amine (CID 116976142) is 1-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]piperidin-4-amine.
What is the SMILES notation for 1-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]piperidin-4-amine?
The canonical SMILES for 1-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]piperidin-4-amine is Cc1ccc(-c2cnc(N3CCC(N)CC3)nc2)o1.
What is the InChIKey of 1-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]piperidin-4-amine?
The InChIKey is HPMLOJFESZQSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10-2-3-13(19-10)11-8-16-14(17-9-11)18-6-4-12(15)5-7-18/h2-3,8-9,12H,4-7,15H2,1H3.
What are the key properties of 1-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]piperidin-4-amine?
1-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]piperidin-4-amine has a molecular weight of 258.32 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]piperidin-4-amine is sourced from PubChem (CID 116976142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).