1-[2-(furan-2-yl)pyrimidin-5-yl]-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]methanamine

C16H19N5O2 — CID 56720124

IUPAC1-[2-(furan-2-yl)pyrimidin-5-yl]-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]methanamine
SMILESCC(C)c1nc(CN(C)Cc2cnc(-c3ccco3)nc2)no1
InChIInChI=1S/C16H19N5O2/c1-11(2)16-19-14(20-23-16)10-21(3)9-12-7-17-15(18-8-12)13-5-4-6-22-13/h4-8,11H,9-10H2,1-3H3
InChIKeyJRMNFEVRQIRTDK-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.88
Rot. Bonds6

About 1-[2-(furan-2-yl)pyrimidin-5-yl]-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]methanamine

1-[2-(furan-2-yl)pyrimidin-5-yl]-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]methanamine (PubChem CID 56720124) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)pyrimidin-5-yl]-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[2-(furan-2-yl)pyrimidin-5-yl]-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]methanamine
PubChem CID56720124
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name1-[2-(furan-2-yl)pyrimidin-5-yl]-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]methanamine
SMILESCC(C)c1nc(CN(C)Cc2cnc(-c3ccco3)nc2)no1
InChIInChI=1S/C16H19N5O2/c1-11(2)16-19-14(20-23-16)10-21(3)9-12-7-17-15(18-8-12)13-5-4-6-22-13/h4-8,11H,9-10H2,1-3H3
InChIKeyJRMNFEVRQIRTDK-UHFFFAOYSA-N
XLogP2.88
TPSA81.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2,1,3-benzothiadiazol-5-yl)-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]methanamine
CID 70727903
[1-[[[2-(furan-2-yl)pyrimidin-5-yl]methyl-methylamino]methyl]cyclopentyl]methanol
CID 56717276
2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 62716801
1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-N-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-N-methylmethanamine
CID 99929648
N-methyl-1-[(2S)-oxolan-2-yl]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]methanamine
CID 127923318
5-(1-bromopropyl)-3-(furan-2-yl)-1,2,4-oxadiazole
CID 62854734
(1R)-1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 94549401
6-methoxy-3-[[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]-1H-quinolin-2-one
CID 56700693
N,6-dimethyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-2-pyridin-3-ylpyrimidin-4-amine
CID 50983555
1-[2-(furan-2-yl)-4-methylpyrimidin-5-yl]ethanamine
CID 62771891
(1R)-1-[2-(furan-2-yl)-4-methylpyrimidin-5-yl]ethanamine
CID 94587547
2-(4-methoxyphenyl)-2-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol
CID 111122549

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)pyrimidin-5-yl]-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]methanamine?
The IUPAC name of 1-[2-(furan-2-yl)pyrimidin-5-yl]-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]methanamine (CID 56720124) is 1-[2-(furan-2-yl)pyrimidin-5-yl]-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-[2-(furan-2-yl)pyrimidin-5-yl]-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]methanamine?
The canonical SMILES for 1-[2-(furan-2-yl)pyrimidin-5-yl]-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]methanamine is CC(C)c1nc(CN(C)Cc2cnc(-c3ccco3)nc2)no1.
What is the InChIKey of 1-[2-(furan-2-yl)pyrimidin-5-yl]-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]methanamine?
The InChIKey is JRMNFEVRQIRTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-11(2)16-19-14(20-23-16)10-21(3)9-12-7-17-15(18-8-12)13-5-4-6-22-13/h4-8,11H,9-10H2,1-3H3.
What are the key properties of 1-[2-(furan-2-yl)pyrimidin-5-yl]-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]methanamine?
1-[2-(furan-2-yl)pyrimidin-5-yl]-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]methanamine has a molecular weight of 313.36 g/mol, XLogP of 2.88, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-yl)pyrimidin-5-yl]-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]methanamine is sourced from PubChem (CID 56720124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).