N-[[2-[cyclopropyl(ethoxy)methyl]-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine

C15H25N3O — CID 116731734

IUPACN-[[2-[cyclopropyl(ethoxy)methyl]-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine
SMILESCCNCc1c(C)nc(C(OCC)C2CC2)nc1C
InChIInChI=1S/C15H25N3O/c1-5-16-9-13-10(3)17-15(18-11(13)4)14(19-6-2)12-7-8-12/h12,14,16H,5-9H2,1-4H3
InChIKeyUQJNIEXXCGORMA-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.69
Rot. Bonds7

About N-[[2-[cyclopropyl(ethoxy)methyl]-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine

N-[[2-[cyclopropyl(ethoxy)methyl]-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine (PubChem CID 116731734) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[[2-[cyclopropyl(ethoxy)methyl]-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[cyclopropyl(ethoxy)methyl]-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine
PubChem CID116731734
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN-[[2-[cyclopropyl(ethoxy)methyl]-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine
SMILESCCNCc1c(C)nc(C(OCC)C2CC2)nc1C
InChIInChI=1S/C15H25N3O/c1-5-16-9-13-10(3)17-15(18-11(13)4)14(19-6-2)12-7-8-12/h12,14,16H,5-9H2,1-4H3
InChIKeyUQJNIEXXCGORMA-UHFFFAOYSA-N
XLogP2.69
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(1-ethoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine
CID 116731738
5-bromo-2-[cyclohexyl(ethoxy)methyl]-N-ethyl-6-methylpyrimidin-4-amine
CID 116776509
2-[cyclopropyl(ethoxy)methyl]-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine
CID 116729687
N-[[2-(1-methoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine
CID 116731735
2-[cyclopropyl(ethoxy)methyl]-6-methylpyrimidine-4-carbaldehyde
CID 116730994
N-[(2,4,6-trimethylpyrimidin-5-yl)methyl]ethanamine
CID 62745483
N-[[2-[cyclopropyl(ethoxy)methyl]-1H-imidazol-5-yl]methyl]ethanamine
CID 116732169
4-chloro-2-[cyclohexyl(ethoxy)methyl]-5-fluoro-6-methylpyrimidine
CID 116746025
2-[cyclopropyl(ethoxy)methyl]-N-ethyl-6-propylpyrimidin-4-amine
CID 116728820
N-[(2-cyclohexyl-4,6-dimethylpyrimidin-5-yl)methyl]ethanamine
CID 62745997
2-[cyclopropyl(ethoxy)methyl]-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 116728703
2-[cyclopropyl(ethoxy)methyl]-5-ethyl-4-methyl-1H-pyrimidin-6-one
CID 136955145

Frequently Asked Questions

What is the IUPAC name of N-[[2-[cyclopropyl(ethoxy)methyl]-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-[cyclopropyl(ethoxy)methyl]-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine (CID 116731734) is N-[[2-[cyclopropyl(ethoxy)methyl]-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[cyclopropyl(ethoxy)methyl]-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-[cyclopropyl(ethoxy)methyl]-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine is CCNCc1c(C)nc(C(OCC)C2CC2)nc1C.
What is the InChIKey of N-[[2-[cyclopropyl(ethoxy)methyl]-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine?
The InChIKey is UQJNIEXXCGORMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-5-16-9-13-10(3)17-15(18-11(13)4)14(19-6-2)12-7-8-12/h12,14,16H,5-9H2,1-4H3.
What are the key properties of N-[[2-[cyclopropyl(ethoxy)methyl]-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine?
N-[[2-[cyclopropyl(ethoxy)methyl]-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine has a molecular weight of 263.38 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[cyclopropyl(ethoxy)methyl]-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine is sourced from PubChem (CID 116731734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).