(1S)-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(3-methylphenyl)ethanamine

C16H21N3O2 — CID 81369608

IUPAC(1S)-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(3-methylphenyl)ethanamine
SMILESCOc1ncnc(OC)c1CN[C@@H](C)c1cccc(C)c1
InChIInChI=1S/C16H21N3O2/c1-11-6-5-7-13(8-11)12(2)17-9-14-15(20-3)18-10-19-16(14)21-4/h5-8,10,12,17H,9H2,1-4H3/t12-/m0/s1
InChIKeyFRPSSEIVJVKHTJ-LBPRGKRZSA-N
MW287.36 g/mol
LogP2.65
Rot. Bonds6

About (1S)-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(3-methylphenyl)ethanamine

(1S)-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(3-methylphenyl)ethanamine (PubChem CID 81369608) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is (1S)-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(3-methylphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(3-methylphenyl)ethanamine
PubChem CID81369608
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name(1S)-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(3-methylphenyl)ethanamine
SMILESCOc1ncnc(OC)c1CN[C@@H](C)c1cccc(C)c1
InChIInChI=1S/C16H21N3O2/c1-11-6-5-7-13(8-11)12(2)17-9-14-15(20-3)18-10-19-16(14)21-4/h5-8,10,12,17H,9H2,1-4H3/t12-/m0/s1
InChIKeyFRPSSEIVJVKHTJ-LBPRGKRZSA-N
XLogP2.65
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-chlorophenyl)-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]ethanamine
CID 43552261
(1S)-1-(4-chlorophenyl)-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]ethanamine
CID 81348880
(1R)-N-[(2-methoxy-5-methylphenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81363923
(1S)-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-(3-methylphenyl)ethanamine
CID 103172621
[1-(3-methylphenyl)ethylamino]methanolate
CID 163854725
3-methoxy-N-[(1S)-1-(3-methylphenyl)ethyl]propan-1-amine
CID 81360450
(1S)-1-(3-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 104756791
(1S)-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(3-methylphenyl)ethanamine
CID 81369770
(1S)-N-[(4-ethoxyphenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81364175
2-methoxy-4-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]phenol
CID 81364019
(1R)-1-(3-methylphenyl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 81363211
N-[(1R)-1-(3-methylphenyl)ethyl]but-3-en-1-amine
CID 81361218

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(3-methylphenyl)ethanamine?
The IUPAC name of (1S)-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(3-methylphenyl)ethanamine (CID 81369608) is (1S)-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(3-methylphenyl)ethanamine.
What is the SMILES notation for (1S)-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(3-methylphenyl)ethanamine?
The canonical SMILES for (1S)-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(3-methylphenyl)ethanamine is COc1ncnc(OC)c1CN[C@@H](C)c1cccc(C)c1.
What is the InChIKey of (1S)-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(3-methylphenyl)ethanamine?
The InChIKey is FRPSSEIVJVKHTJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11-6-5-7-13(8-11)12(2)17-9-14-15(20-3)18-10-19-16(14)21-4/h5-8,10,12,17H,9H2,1-4H3/t12-/m0/s1.
What are the key properties of (1S)-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(3-methylphenyl)ethanamine?
(1S)-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(3-methylphenyl)ethanamine has a molecular weight of 287.36 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(3-methylphenyl)ethanamine is sourced from PubChem (CID 81369608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).