N-[[2-(1-methoxy-2-methylpropyl)pyrimidin-5-yl]methyl]ethanamine

C12H21N3O — CID 116731243

IUPACN-[[2-(1-methoxy-2-methylpropyl)pyrimidin-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(C(OC)C(C)C)nc1
InChIInChI=1S/C12H21N3O/c1-5-13-6-10-7-14-12(15-8-10)11(16-4)9(2)3/h7-9,11,13H,5-6H2,1-4H3
InChIKeyPTRKUZMTLOVTKR-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.93
Rot. Bonds6

About N-[[2-(1-methoxy-2-methylpropyl)pyrimidin-5-yl]methyl]ethanamine

N-[[2-(1-methoxy-2-methylpropyl)pyrimidin-5-yl]methyl]ethanamine (PubChem CID 116731243) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[[2-(1-methoxy-2-methylpropyl)pyrimidin-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(1-methoxy-2-methylpropyl)pyrimidin-5-yl]methyl]ethanamine
PubChem CID116731243
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-[[2-(1-methoxy-2-methylpropyl)pyrimidin-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(C(OC)C(C)C)nc1
InChIInChI=1S/C12H21N3O/c1-5-13-6-10-7-14-12(15-8-10)11(16-4)9(2)3/h7-9,11,13H,5-6H2,1-4H3
InChIKeyPTRKUZMTLOVTKR-UHFFFAOYSA-N
XLogP1.93
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[2-(1-methoxy-2-methylpropyl)pyrimidin-5-yl]methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(1-ethoxy-2-methylpropyl)pyrimidin-5-yl]-N-methylmethanamine
CID 116731235
N-[[2-(1-methoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine
CID 116731735
N-ethyl-5-(ethylaminomethyl)pyrimidin-2-amine
CID 102536247
[2-(1-methoxy-2-methylpropyl)-4-propan-2-ylpyrimidin-5-yl]methanol
CID 114205111
N-[(2-tert-butylpyrimidin-5-yl)methyl]ethanamine
CID 62755323
N-[[2-(1-methoxypropyl)pyrimidin-5-yl]methyl]propan-2-amine
CID 116731262
N-[[2-(1-ethoxyethyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine
CID 64533832
ethyl 2-(1-methoxy-2-methylpropyl)-4-methylpyrimidine-5-carboxylate
CID 102972388
N-[[2-(2,2-dimethylpropyl)pyrimidin-5-yl]methyl]ethanamine
CID 63891334
5-(ethylaminomethyl)-N-(1-methoxypropan-2-yl)-N-methylpyridin-2-amine
CID 62283072
5-(ethylaminomethyl)-N-methyl-N-(3-methylbutan-2-yl)pyridin-2-amine
CID 62281875
N-[(5-bromo-6-methoxy-3-pyridinyl)methyl]ethanamine
CID 163278698

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-methoxy-2-methylpropyl)pyrimidin-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(1-methoxy-2-methylpropyl)pyrimidin-5-yl]methyl]ethanamine (CID 116731243) is N-[[2-(1-methoxy-2-methylpropyl)pyrimidin-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(1-methoxy-2-methylpropyl)pyrimidin-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(1-methoxy-2-methylpropyl)pyrimidin-5-yl]methyl]ethanamine is CCNCc1cnc(C(OC)C(C)C)nc1.
What is the InChIKey of N-[[2-(1-methoxy-2-methylpropyl)pyrimidin-5-yl]methyl]ethanamine?
The InChIKey is PTRKUZMTLOVTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-5-13-6-10-7-14-12(15-8-10)11(16-4)9(2)3/h7-9,11,13H,5-6H2,1-4H3.
What are the key properties of N-[[2-(1-methoxy-2-methylpropyl)pyrimidin-5-yl]methyl]ethanamine?
N-[[2-(1-methoxy-2-methylpropyl)pyrimidin-5-yl]methyl]ethanamine has a molecular weight of 223.32 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-methoxy-2-methylpropyl)pyrimidin-5-yl]methyl]ethanamine is sourced from PubChem (CID 116731243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).