N-[(6-methyl-2-pent-4-enoxypyrimidin-4-yl)methyl]cyclopropanamine

C14H21N3O — CID 114221349

IUPACN-[(6-methyl-2-pent-4-enoxypyrimidin-4-yl)methyl]cyclopropanamine
SMILESC=CCCCOc1nc(C)cc(CNC2CC2)n1
InChIInChI=1S/C14H21N3O/c1-3-4-5-8-18-14-16-11(2)9-13(17-14)10-15-12-6-7-12/h3,9,12,15H,1,4-8,10H2,2H3
InChIKeySQARGYMALNNFRV-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.38
Rot. Bonds8

About N-[(6-methyl-2-pent-4-enoxypyrimidin-4-yl)methyl]cyclopropanamine

N-[(6-methyl-2-pent-4-enoxypyrimidin-4-yl)methyl]cyclopropanamine (PubChem CID 114221349) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[(6-methyl-2-pent-4-enoxypyrimidin-4-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(6-methyl-2-pent-4-enoxypyrimidin-4-yl)methyl]cyclopropanamine
PubChem CID114221349
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-[(6-methyl-2-pent-4-enoxypyrimidin-4-yl)methyl]cyclopropanamine
SMILESC=CCCCOc1nc(C)cc(CNC2CC2)n1
InChIInChI=1S/C14H21N3O/c1-3-4-5-8-18-14-16-11(2)9-13(17-14)10-15-12-6-7-12/h3,9,12,15H,1,4-8,10H2,2H3
InChIKeySQARGYMALNNFRV-UHFFFAOYSA-N
XLogP2.38
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[6-methyl-2-(2-methylbutan-2-yloxy)pyrimidin-4-yl]methyl]cyclopropanamine
CID 114221207
N-[[6-methyl-2-(3-methylbutan-2-yloxy)pyrimidin-4-yl]methyl]cyclopropanamine
CID 114221355
N-[(6-methyl-2-pyrimidin-2-ylpyrimidin-4-yl)methyl]cyclopropanamine
CID 62746577
N-[[2-[cyclopropyl(methoxy)methyl]-6-methylpyrimidin-4-yl]methyl]cyclopropanamine
CID 116731176
N-[[2-(1-ethoxy-2,2-dimethylpropyl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine
CID 116731170
N-[(2-cycloheptyl-6-methylpyrimidin-4-yl)methyl]cyclopropanamine
CID 65399678
N-methyl-N-[2-[4-methyl-6-(methylaminomethyl)pyrimidin-2-yl]oxyethyl]cyclopropanamine
CID 114221377
N-[[2-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine
CID 62746575
N-[(2-butoxy-4,6-dimethyl-3-pyridinyl)methyl]cyclopropanamine
CID 62290425
N-[(2-hept-6-enoxy-3-methylphenyl)methyl]cyclopropanamine
CID 107006293
[2-(2-cyclopropylethoxy)-6-methylpyrimidin-4-yl]methanamine
CID 106199453
N-[[2-(1-methoxycyclopentyl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine
CID 104611857

Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-2-pent-4-enoxypyrimidin-4-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(6-methyl-2-pent-4-enoxypyrimidin-4-yl)methyl]cyclopropanamine (CID 114221349) is N-[(6-methyl-2-pent-4-enoxypyrimidin-4-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(6-methyl-2-pent-4-enoxypyrimidin-4-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(6-methyl-2-pent-4-enoxypyrimidin-4-yl)methyl]cyclopropanamine is C=CCCCOc1nc(C)cc(CNC2CC2)n1.
What is the InChIKey of N-[(6-methyl-2-pent-4-enoxypyrimidin-4-yl)methyl]cyclopropanamine?
The InChIKey is SQARGYMALNNFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-3-4-5-8-18-14-16-11(2)9-13(17-14)10-15-12-6-7-12/h3,9,12,15H,1,4-8,10H2,2H3.
What are the key properties of N-[(6-methyl-2-pent-4-enoxypyrimidin-4-yl)methyl]cyclopropanamine?
N-[(6-methyl-2-pent-4-enoxypyrimidin-4-yl)methyl]cyclopropanamine has a molecular weight of 247.34 g/mol, XLogP of 2.38, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-2-pent-4-enoxypyrimidin-4-yl)methyl]cyclopropanamine is sourced from PubChem (CID 114221349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).