N-[3-[4,6-dimethyl-2-(3-methylfuran-2-yl)pyrimidin-5-yl]propyl]cyclopropanamine

C17H23N3O — CID 104807289

IUPACN-[3-[4,6-dimethyl-2-(3-methylfuran-2-yl)pyrimidin-5-yl]propyl]cyclopropanamine
SMILESCc1ccoc1-c1nc(C)c(CCCNC2CC2)c(C)n1
InChIInChI=1S/C17H23N3O/c1-11-8-10-21-16(11)17-19-12(2)15(13(3)20-17)5-4-9-18-14-6-7-14/h8,10,14,18H,4-7,9H2,1-3H3
InChIKeyYCFBLDJMXSHJQO-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.35
Rot. Bonds6

About N-[3-[4,6-dimethyl-2-(3-methylfuran-2-yl)pyrimidin-5-yl]propyl]cyclopropanamine

N-[3-[4,6-dimethyl-2-(3-methylfuran-2-yl)pyrimidin-5-yl]propyl]cyclopropanamine (PubChem CID 104807289) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[3-[4,6-dimethyl-2-(3-methylfuran-2-yl)pyrimidin-5-yl]propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-[4,6-dimethyl-2-(3-methylfuran-2-yl)pyrimidin-5-yl]propyl]cyclopropanamine
PubChem CID104807289
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-[3-[4,6-dimethyl-2-(3-methylfuran-2-yl)pyrimidin-5-yl]propyl]cyclopropanamine
SMILESCc1ccoc1-c1nc(C)c(CCCNC2CC2)c(C)n1
InChIInChI=1S/C17H23N3O/c1-11-8-10-21-16(11)17-19-12(2)15(13(3)20-17)5-4-9-18-14-6-7-14/h8,10,14,18H,4-7,9H2,1-3H3
InChIKeyYCFBLDJMXSHJQO-UHFFFAOYSA-N
XLogP3.35
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[4,6-dimethyl-2-(3-methylfuran-2-yl)pyrimidin-5-yl]methyl]ethanamine
CID 113455509
3-[4,6-dimethyl-2-(3-methylfuran-2-yl)pyrimidin-5-yl]propanoic acid
CID 104806262
N-[3-(2-cyclopentyl-4,6-dimethylpyrimidin-5-yl)propyl]cyclopropanamine
CID 62745618
5-ethyl-6-methyl-2-(3-methylfuran-2-yl)-N-propylpyrimidin-4-amine
CID 104806638
N-[3-[4,6-dimethyl-2-(2-methylcyclopropyl)pyrimidin-5-yl]propyl]cyclopropanamine
CID 65420884
N-[3-[4,6-dimethyl-2-(methylsulfanylmethyl)pyrimidin-5-yl]propyl]cyclopropanamine
CID 55113678
3-[3-(cyclopropylamino)propyl]-4-methylpyridin-2-amine
CID 64505159
N-[3-(4,6-dimethyl-2-piperidin-1-ylpyrimidin-5-yl)propyl]cyclopropanamine
CID 62744044
N-[[5-(3-methylfuran-2-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
CID 62341400
N-[2-(4,6-dimethyl-2-pyridin-3-ylpyrimidin-5-yl)ethyl]cyclopropanamine
CID 62744074
N-[3-[2-(1-methoxypropyl)-4,6-dimethylpyrimidin-5-yl]propyl]cyclopropanamine
CID 116731643
N-methyl-3-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104797709

Frequently Asked Questions

What is the IUPAC name of N-[3-[4,6-dimethyl-2-(3-methylfuran-2-yl)pyrimidin-5-yl]propyl]cyclopropanamine?
The IUPAC name of N-[3-[4,6-dimethyl-2-(3-methylfuran-2-yl)pyrimidin-5-yl]propyl]cyclopropanamine (CID 104807289) is N-[3-[4,6-dimethyl-2-(3-methylfuran-2-yl)pyrimidin-5-yl]propyl]cyclopropanamine.
What is the SMILES notation for N-[3-[4,6-dimethyl-2-(3-methylfuran-2-yl)pyrimidin-5-yl]propyl]cyclopropanamine?
The canonical SMILES for N-[3-[4,6-dimethyl-2-(3-methylfuran-2-yl)pyrimidin-5-yl]propyl]cyclopropanamine is Cc1ccoc1-c1nc(C)c(CCCNC2CC2)c(C)n1.
What is the InChIKey of N-[3-[4,6-dimethyl-2-(3-methylfuran-2-yl)pyrimidin-5-yl]propyl]cyclopropanamine?
The InChIKey is YCFBLDJMXSHJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-11-8-10-21-16(11)17-19-12(2)15(13(3)20-17)5-4-9-18-14-6-7-14/h8,10,14,18H,4-7,9H2,1-3H3.
What are the key properties of N-[3-[4,6-dimethyl-2-(3-methylfuran-2-yl)pyrimidin-5-yl]propyl]cyclopropanamine?
N-[3-[4,6-dimethyl-2-(3-methylfuran-2-yl)pyrimidin-5-yl]propyl]cyclopropanamine has a molecular weight of 285.39 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4,6-dimethyl-2-(3-methylfuran-2-yl)pyrimidin-5-yl]propyl]cyclopropanamine is sourced from PubChem (CID 104807289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).