N-methyl-1-[4-methyl-2-(2-propan-2-yloxyethoxy)pyrimidin-5-yl]methanamine

C12H21N3O2 — CID 83189501

IUPACN-methyl-1-[4-methyl-2-(2-propan-2-yloxyethoxy)pyrimidin-5-yl]methanamine
SMILESCNCc1cnc(OCCOC(C)C)nc1C
InChIInChI=1S/C12H21N3O2/c1-9(2)16-5-6-17-12-14-8-11(7-13-4)10(3)15-12/h8-9,13H,5-7H2,1-4H3
InChIKeyHRDIEBSDFXWUGO-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.31
Rot. Bonds7

About N-methyl-1-[4-methyl-2-(2-propan-2-yloxyethoxy)pyrimidin-5-yl]methanamine

N-methyl-1-[4-methyl-2-(2-propan-2-yloxyethoxy)pyrimidin-5-yl]methanamine (PubChem CID 83189501) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-methyl-1-[4-methyl-2-(2-propan-2-yloxyethoxy)pyrimidin-5-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-methyl-2-(2-propan-2-yloxyethoxy)pyrimidin-5-yl]methanamine
PubChem CID83189501
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-methyl-1-[4-methyl-2-(2-propan-2-yloxyethoxy)pyrimidin-5-yl]methanamine
SMILESCNCc1cnc(OCCOC(C)C)nc1C
InChIInChI=1S/C12H21N3O2/c1-9(2)16-5-6-17-12-14-8-11(7-13-4)10(3)15-12/h8-9,13H,5-7H2,1-4H3
InChIKeyHRDIEBSDFXWUGO-UHFFFAOYSA-N
XLogP1.31
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-[4-methyl-2-(4-methylpentoxy)pyrimidin-5-yl]methanamine
CID 83188748
1-[2-(2-cyclopropylethoxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine
CID 106205327
N-methyl-1-[4-methyl-2-(4-methylpentan-2-yloxy)pyrimidin-5-yl]methanamine
CID 83189734
1-[2-(2-cyclobutylethoxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine
CID 106205527
1-[2-(3,5-dimethoxyphenoxy)-4-methylpyrimidin-5-yl]-N-methylmethanamine
CID 83185420
1-(2-cyclopentyloxy-4-methylpyrimidin-5-yl)-N-methylmethanamine
CID 83189730
N-[(4-methyl-2-propoxypyrimidin-5-yl)methyl]propan-1-amine
CID 83188978
N-[[2-(3-methoxy-3-methylbutoxy)-4-methylpyrimidin-5-yl]methyl]propan-2-amine
CID 106667482
1-(2-cyclohexyloxy-4-methylpyrimidin-5-yl)-N-methylmethanamine
CID 83189189
N-methyl-1-[4-methyl-2-(oxolan-2-ylmethoxy)pyrimidin-5-yl]methanamine
CID 83189883
2-methyl-N-[[4-methyl-2-(2-propoxyethoxy)pyrimidin-5-yl]methyl]propan-2-amine
CID 83188927
5-bromo-2-(2-propan-2-yloxyethoxy)pyrimidine
CID 63867544

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-methyl-2-(2-propan-2-yloxyethoxy)pyrimidin-5-yl]methanamine?
The IUPAC name of N-methyl-1-[4-methyl-2-(2-propan-2-yloxyethoxy)pyrimidin-5-yl]methanamine (CID 83189501) is N-methyl-1-[4-methyl-2-(2-propan-2-yloxyethoxy)pyrimidin-5-yl]methanamine.
What is the SMILES notation for N-methyl-1-[4-methyl-2-(2-propan-2-yloxyethoxy)pyrimidin-5-yl]methanamine?
The canonical SMILES for N-methyl-1-[4-methyl-2-(2-propan-2-yloxyethoxy)pyrimidin-5-yl]methanamine is CNCc1cnc(OCCOC(C)C)nc1C.
What is the InChIKey of N-methyl-1-[4-methyl-2-(2-propan-2-yloxyethoxy)pyrimidin-5-yl]methanamine?
The InChIKey is HRDIEBSDFXWUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-9(2)16-5-6-17-12-14-8-11(7-13-4)10(3)15-12/h8-9,13H,5-7H2,1-4H3.
What are the key properties of N-methyl-1-[4-methyl-2-(2-propan-2-yloxyethoxy)pyrimidin-5-yl]methanamine?
N-methyl-1-[4-methyl-2-(2-propan-2-yloxyethoxy)pyrimidin-5-yl]methanamine has a molecular weight of 239.32 g/mol, XLogP of 1.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-methyl-2-(2-propan-2-yloxyethoxy)pyrimidin-5-yl]methanamine is sourced from PubChem (CID 83189501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).