2-(2-methylprop-2-enoxy)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine

C12H19N3O — CID 114465996

IUPAC2-(2-methylprop-2-enoxy)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine
SMILESC=C(C)COCCNCc1ccnc(C)n1
InChIInChI=1S/C12H19N3O/c1-10(2)9-16-7-6-13-8-12-4-5-14-11(3)15-12/h4-5,13H,1,6-9H2,2-3H3
InChIKeyCPVRZBHGPKACAB-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.47
Rot. Bonds7

About 2-(2-methylprop-2-enoxy)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine

2-(2-methylprop-2-enoxy)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine (PubChem CID 114465996) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-(2-methylprop-2-enoxy)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(2-methylprop-2-enoxy)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine
PubChem CID114465996
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-(2-methylprop-2-enoxy)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine
SMILESC=C(C)COCCNCc1ccnc(C)n1
InChIInChI=1S/C12H19N3O/c1-10(2)9-16-7-6-13-8-12-4-5-14-11(3)15-12/h4-5,13H,1,6-9H2,2-3H3
InChIKeyCPVRZBHGPKACAB-UHFFFAOYSA-N
XLogP1.47
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.47
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

2-[2-[(2-methylpyrimidin-4-yl)methylamino]ethoxy]acetamide
CID 106236339
N-[(2-methylpyrimidin-4-yl)methyl]-2-propoxyethanamine
CID 106451723
2-but-3-enoxy-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine
CID 106397557
2-[(2-methylpyrimidin-4-yl)methylamino]ethyl carbamate
CID 83211810
2-(2-methylprop-2-enoxy)-N-(pyrimidin-2-ylmethyl)ethanamine
CID 114467087
N-[(2-methylpyrimidin-4-yl)methyl]propan-1-amine
CID 46785088
N'-hydroxy-2-[2-[(2-methylpyrimidin-4-yl)methylamino]ethoxy]propanimidamide
CID 114266326
N'-tert-butyl-N-[(2-methylpyrimidin-4-yl)methyl]ethane-1,2-diamine
CID 107445412
N-[(2,6-dimethylphenyl)methyl]-2-(2-methylprop-2-enoxy)ethanamine
CID 115897877
N-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]propanamide
CID 62326409
N-[(2-methylpyrimidin-4-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 116615427
4,4,4-trifluoro-N-[(2-methylpyrimidin-4-yl)methyl]butan-1-amine
CID 115513579

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enoxy)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine?
The IUPAC name of 2-(2-methylprop-2-enoxy)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine (CID 114465996) is 2-(2-methylprop-2-enoxy)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine.
What is the SMILES notation for 2-(2-methylprop-2-enoxy)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine?
The canonical SMILES for 2-(2-methylprop-2-enoxy)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine is C=C(C)COCCNCc1ccnc(C)n1.
What is the InChIKey of 2-(2-methylprop-2-enoxy)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine?
The InChIKey is CPVRZBHGPKACAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-10(2)9-16-7-6-13-8-12-4-5-14-11(3)15-12/h4-5,13H,1,6-9H2,2-3H3.
What are the key properties of 2-(2-methylprop-2-enoxy)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine?
2-(2-methylprop-2-enoxy)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine has a molecular weight of 221.30 g/mol, XLogP of 1.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enoxy)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine is sourced from PubChem (CID 114465996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).