N-[[4-methyl-2-(1-phenylethoxy)pyrimidin-5-yl]methyl]ethanamine

C16H21N3O — CID 83189196

IUPACN-[[4-methyl-2-(1-phenylethoxy)pyrimidin-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(OC(C)c2ccccc2)nc1C
InChIInChI=1S/C16H21N3O/c1-4-17-10-15-11-18-16(19-12(15)2)20-13(3)14-8-6-5-7-9-14/h5-9,11,13,17H,4,10H2,1-3H3
InChIKeyBYYOEJRTENKKGI-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.03
Rot. Bonds6

About N-[[4-methyl-2-(1-phenylethoxy)pyrimidin-5-yl]methyl]ethanamine

N-[[4-methyl-2-(1-phenylethoxy)pyrimidin-5-yl]methyl]ethanamine (PubChem CID 83189196) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[[4-methyl-2-(1-phenylethoxy)pyrimidin-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-methyl-2-(1-phenylethoxy)pyrimidin-5-yl]methyl]ethanamine
PubChem CID83189196
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-[[4-methyl-2-(1-phenylethoxy)pyrimidin-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(OC(C)c2ccccc2)nc1C
InChIInChI=1S/C16H21N3O/c1-4-17-10-15-11-18-16(19-12(15)2)20-13(3)14-8-6-5-7-9-14/h5-9,11,13,17H,4,10H2,1-3H3
InChIKeyBYYOEJRTENKKGI-UHFFFAOYSA-N
XLogP3.03
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[4-methyl-2-(1-phenylethoxy)pyrimidin-5-yl]methyl]ethanamine with MolForge

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Related Compounds

N-[[2-(1-methoxypropan-2-yloxy)-4-methylpyrimidin-5-yl]methyl]ethanamine
CID 83188930
N-[[2-(3-methoxyphenoxy)-4-methylpyrimidin-5-yl]methyl]ethanamine
CID 83189135
N-[[5-bromo-3-methyl-2-(1-phenylethoxy)phenyl]methyl]ethanamine
CID 115961171
N-[(2-but-3-enoxy-4-methylpyrimidin-5-yl)methyl]ethanamine
CID 83188963
N-[[4-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methyl]propan-1-amine
CID 83189460
N-[[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-4-methylpyrimidin-5-yl]methyl]ethanamine
CID 103175513
N-[[2-(2-fluoro-5-methylphenoxy)-4-methylpyrimidin-5-yl]methyl]ethanamine
CID 83189385
N-[[2-(5-chloro-2-methylphenoxy)-4-methylpyrimidin-5-yl]methyl]ethanamine
CID 83189159
5-bromo-2-(1-phenylethoxy)pyrimidine
CID 63867238
N-[[4-methyl-2-(2-pyrrolidin-1-ylethoxy)pyrimidin-5-yl]methyl]ethanamine
CID 83189831
N-[[2-(2,2-difluoroethoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
CID 83195410
N-methyl-1-[4-methyl-2-(4-methylpentan-2-yloxy)pyrimidin-5-yl]methanamine
CID 83189734

Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-2-(1-phenylethoxy)pyrimidin-5-yl]methyl]ethanamine?
The IUPAC name of N-[[4-methyl-2-(1-phenylethoxy)pyrimidin-5-yl]methyl]ethanamine (CID 83189196) is N-[[4-methyl-2-(1-phenylethoxy)pyrimidin-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-methyl-2-(1-phenylethoxy)pyrimidin-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-methyl-2-(1-phenylethoxy)pyrimidin-5-yl]methyl]ethanamine is CCNCc1cnc(OC(C)c2ccccc2)nc1C.
What is the InChIKey of N-[[4-methyl-2-(1-phenylethoxy)pyrimidin-5-yl]methyl]ethanamine?
The InChIKey is BYYOEJRTENKKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-4-17-10-15-11-18-16(19-12(15)2)20-13(3)14-8-6-5-7-9-14/h5-9,11,13,17H,4,10H2,1-3H3.
What are the key properties of N-[[4-methyl-2-(1-phenylethoxy)pyrimidin-5-yl]methyl]ethanamine?
N-[[4-methyl-2-(1-phenylethoxy)pyrimidin-5-yl]methyl]ethanamine has a molecular weight of 271.36 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-2-(1-phenylethoxy)pyrimidin-5-yl]methyl]ethanamine is sourced from PubChem (CID 83189196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).