N-[[2-(2-methylfuran-3-yl)pyrimidin-5-yl]methyl]cyclopropanamine

C13H15N3O — CID 104790829

IUPACN-[[2-(2-methylfuran-3-yl)pyrimidin-5-yl]methyl]cyclopropanamine
SMILESCc1occc1-c1ncc(CNC2CC2)cn1
InChIInChI=1S/C13H15N3O/c1-9-12(4-5-17-9)13-15-7-10(8-16-13)6-14-11-2-3-11/h4-5,7-8,11,14H,2-3,6H2,1H3
InChIKeyQYNDOPNXXGLWNH-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.30
Rot. Bonds4

About N-[[2-(2-methylfuran-3-yl)pyrimidin-5-yl]methyl]cyclopropanamine

N-[[2-(2-methylfuran-3-yl)pyrimidin-5-yl]methyl]cyclopropanamine (PubChem CID 104790829) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is N-[[2-(2-methylfuran-3-yl)pyrimidin-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(2-methylfuran-3-yl)pyrimidin-5-yl]methyl]cyclopropanamine
PubChem CID104790829
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC NameN-[[2-(2-methylfuran-3-yl)pyrimidin-5-yl]methyl]cyclopropanamine
SMILESCc1occc1-c1ncc(CNC2CC2)cn1
InChIInChI=1S/C13H15N3O/c1-9-12(4-5-17-9)13-15-7-10(8-16-13)6-14-11-2-3-11/h4-5,7-8,11,14H,2-3,6H2,1H3
InChIKeyQYNDOPNXXGLWNH-UHFFFAOYSA-N
XLogP2.30
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(cyclopropylamino)methyl]-N,3-dimethyl-N-[(2-methylfuran-3-yl)methyl]pyridin-2-amine
CID 80631518
N-[[4-methyl-2-(2-methylfuran-3-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 104790778
N-[(6-methyl-3-pyridinyl)methyl]cyclopropanamine
CID 43163855
N-[[2-(2-bromo-5-fluorophenyl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 107924211
N-[(2-cyclopropylpyrimidin-5-yl)methyl]cyclopropanamine
CID 62757323
N-[[2-(3-methoxyphenyl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 62755519
[4-cyclopropyl-2-(2-methylfuran-3-yl)pyrimidin-5-yl]methanol
CID 114205160
N-[[2-(methylsulfanylmethyl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 62757142
N-[(2-naphthalen-2-ylpyrimidin-5-yl)methyl]cyclopropanamine
CID 62756229
N-[[6-[1,1-bis(phosphanyl)ethyl]-3-pyridinyl]methyl]cyclopropanamine
CID 155399172
5-(bromomethyl)-4-methyl-2-(2-methylfuran-3-yl)pyrimidine
CID 130483314
N-[[5-methyl-2-(2-methylfuran-3-yl)pyrimidin-4-yl]methyl]ethanamine
CID 114245237

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methylfuran-3-yl)pyrimidin-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(2-methylfuran-3-yl)pyrimidin-5-yl]methyl]cyclopropanamine (CID 104790829) is N-[[2-(2-methylfuran-3-yl)pyrimidin-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(2-methylfuran-3-yl)pyrimidin-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(2-methylfuran-3-yl)pyrimidin-5-yl]methyl]cyclopropanamine is Cc1occc1-c1ncc(CNC2CC2)cn1.
What is the InChIKey of N-[[2-(2-methylfuran-3-yl)pyrimidin-5-yl]methyl]cyclopropanamine?
The InChIKey is QYNDOPNXXGLWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-9-12(4-5-17-9)13-15-7-10(8-16-13)6-14-11-2-3-11/h4-5,7-8,11,14H,2-3,6H2,1H3.
What are the key properties of N-[[2-(2-methylfuran-3-yl)pyrimidin-5-yl]methyl]cyclopropanamine?
N-[[2-(2-methylfuran-3-yl)pyrimidin-5-yl]methyl]cyclopropanamine has a molecular weight of 229.28 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methylfuran-3-yl)pyrimidin-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 104790829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).