N-[(3-pyrimidin-5-ylfuran-2-yl)methyl]propan-2-amine

C12H15N3O — CID 106887002

IUPACN-[(3-pyrimidin-5-ylfuran-2-yl)methyl]propan-2-amine
SMILESCC(C)NCc1occc1-c1cncnc1
InChIInChI=1S/C12H15N3O/c1-9(2)15-7-12-11(3-4-16-12)10-5-13-8-14-6-10/h3-6,8-9,15H,7H2,1-2H3
InChIKeyOVLLNELLHWXKMP-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.23
Rot. Bonds4

About N-[(3-pyrimidin-5-ylfuran-2-yl)methyl]propan-2-amine

N-[(3-pyrimidin-5-ylfuran-2-yl)methyl]propan-2-amine (PubChem CID 106887002) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is N-[(3-pyrimidin-5-ylfuran-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(3-pyrimidin-5-ylfuran-2-yl)methyl]propan-2-amine
PubChem CID106887002
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC NameN-[(3-pyrimidin-5-ylfuran-2-yl)methyl]propan-2-amine
SMILESCC(C)NCc1occc1-c1cncnc1
InChIInChI=1S/C12H15N3O/c1-9(2)15-7-12-11(3-4-16-12)10-5-13-8-14-6-10/h3-6,8-9,15H,7H2,1-2H3
InChIKeyOVLLNELLHWXKMP-UHFFFAOYSA-N
XLogP2.23
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-4-[2-[(propan-2-ylamino)methyl]furan-3-yl]aniline
CID 106886715
N-[[3-(3-fluoro-4-pyridinyl)furan-2-yl]methyl]propan-2-amine
CID 106887993
N-[(3-isoquinolin-8-ylfuran-2-yl)methyl]propan-2-amine
CID 106888298
N-[[3-(2-fluorophenyl)furan-2-yl]methyl]propan-2-amine
CID 106887009
N-[[3-(2-chlorophenyl)furan-2-yl]methyl]propan-2-amine
CID 106886897
N-[[3-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine
CID 106887042
N-[[3-(3-nitrophenyl)furan-2-yl]methyl]propan-2-amine
CID 106886933
N-[[3-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]propan-2-amine
CID 106888680
N-[[3-[3-fluoro-4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine
CID 107289722
N-[[3-(2-methylthiophen-3-yl)furan-2-yl]methyl]propan-2-amine
CID 106888284
3-fluoro-5-[2-[(propan-2-ylamino)methyl]furan-3-yl]benzonitrile
CID 106887474
2-[(propan-2-ylamino)methyl]furan-3-carbonitrile
CID 106887928

Frequently Asked Questions

What is the IUPAC name of N-[(3-pyrimidin-5-ylfuran-2-yl)methyl]propan-2-amine?
The IUPAC name of N-[(3-pyrimidin-5-ylfuran-2-yl)methyl]propan-2-amine (CID 106887002) is N-[(3-pyrimidin-5-ylfuran-2-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(3-pyrimidin-5-ylfuran-2-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(3-pyrimidin-5-ylfuran-2-yl)methyl]propan-2-amine is CC(C)NCc1occc1-c1cncnc1.
What is the InChIKey of N-[(3-pyrimidin-5-ylfuran-2-yl)methyl]propan-2-amine?
The InChIKey is OVLLNELLHWXKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-9(2)15-7-12-11(3-4-16-12)10-5-13-8-14-6-10/h3-6,8-9,15H,7H2,1-2H3.
What are the key properties of N-[(3-pyrimidin-5-ylfuran-2-yl)methyl]propan-2-amine?
N-[(3-pyrimidin-5-ylfuran-2-yl)methyl]propan-2-amine has a molecular weight of 217.27 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-pyrimidin-5-ylfuran-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 106887002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).