1-[2-[cyclopropyl(methoxy)methyl]-4-methylpyrimidin-5-yl]-N-methylethanamine

C13H21N3O — CID 116731318

IUPAC1-[2-[cyclopropyl(methoxy)methyl]-4-methylpyrimidin-5-yl]-N-methylethanamine
SMILESCNC(C)c1cnc(C(OC)C2CC2)nc1C
InChIInChI=1S/C13H21N3O/c1-8(14-3)11-7-15-13(16-9(11)2)12(17-4)10-5-6-10/h7-8,10,12,14H,5-6H2,1-4H3
InChIKeyHVIGVZKYSZXSLD-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.16
Rot. Bonds5

About 1-[2-[cyclopropyl(methoxy)methyl]-4-methylpyrimidin-5-yl]-N-methylethanamine

1-[2-[cyclopropyl(methoxy)methyl]-4-methylpyrimidin-5-yl]-N-methylethanamine (PubChem CID 116731318) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[2-[cyclopropyl(methoxy)methyl]-4-methylpyrimidin-5-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-[cyclopropyl(methoxy)methyl]-4-methylpyrimidin-5-yl]-N-methylethanamine
PubChem CID116731318
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name1-[2-[cyclopropyl(methoxy)methyl]-4-methylpyrimidin-5-yl]-N-methylethanamine
SMILESCNC(C)c1cnc(C(OC)C2CC2)nc1C
InChIInChI=1S/C13H21N3O/c1-8(14-3)11-7-15-13(16-9(11)2)12(17-4)10-5-6-10/h7-8,10,12,14H,5-6H2,1-4H3
InChIKeyHVIGVZKYSZXSLD-UHFFFAOYSA-N
XLogP2.16
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[cyclohexyl(ethoxy)methyl]-4-methylpyrimidin-5-yl]-N-methylethanamine
CID 116778896
1-[2-(1-methoxy-2,2-dimethylpropyl)-4-methylpyrimidin-5-yl]-N-methylethanamine
CID 116731319
1-(2-butan-2-yl-4-methylpyrimidin-5-yl)-N-methylethanamine
CID 63719459
2-[cyclopropyl(methoxy)methyl]-5-iodo-N,6-dimethylpyrimidin-4-amine
CID 116729350
2-[cyclopropyl(methoxy)methyl]pyrimidin-5-amine
CID 116705149
1-[2-(1-ethoxybutyl)-4-methylpyrimidin-5-yl]-N-methylethanamine
CID 116731317
1-[2-[ethoxy(phenyl)methyl]-4-methylpyrimidin-5-yl]-N-methylethanamine
CID 116778891
4-chloro-2-[cyclohexyl(methoxy)methyl]-5-iodopyrimidine
CID 116746300
1-[2-[cyclopropyl(methoxy)methyl]pyrimidin-4-yl]-N-methylmethanamine
CID 116731055
2-[cyclopropyl(methoxy)methyl]-N,7,7-trimethyl-6,8-dihydro-5H-quinazolin-5-amine
CID 116728350
[2-[cyclopropyl(methoxy)methyl]pyrimidin-4-yl]hydrazine
CID 116730368
[2-[cyclopropyl(methoxy)methyl]-4-propylpyrimidin-5-yl]methanol
CID 114205020

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopropyl(methoxy)methyl]-4-methylpyrimidin-5-yl]-N-methylethanamine?
The IUPAC name of 1-[2-[cyclopropyl(methoxy)methyl]-4-methylpyrimidin-5-yl]-N-methylethanamine (CID 116731318) is 1-[2-[cyclopropyl(methoxy)methyl]-4-methylpyrimidin-5-yl]-N-methylethanamine.
What is the SMILES notation for 1-[2-[cyclopropyl(methoxy)methyl]-4-methylpyrimidin-5-yl]-N-methylethanamine?
The canonical SMILES for 1-[2-[cyclopropyl(methoxy)methyl]-4-methylpyrimidin-5-yl]-N-methylethanamine is CNC(C)c1cnc(C(OC)C2CC2)nc1C.
What is the InChIKey of 1-[2-[cyclopropyl(methoxy)methyl]-4-methylpyrimidin-5-yl]-N-methylethanamine?
The InChIKey is HVIGVZKYSZXSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-8(14-3)11-7-15-13(16-9(11)2)12(17-4)10-5-6-10/h7-8,10,12,14H,5-6H2,1-4H3.
What are the key properties of 1-[2-[cyclopropyl(methoxy)methyl]-4-methylpyrimidin-5-yl]-N-methylethanamine?
1-[2-[cyclopropyl(methoxy)methyl]-4-methylpyrimidin-5-yl]-N-methylethanamine has a molecular weight of 235.33 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopropyl(methoxy)methyl]-4-methylpyrimidin-5-yl]-N-methylethanamine is sourced from PubChem (CID 116731318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).