(1R)-1-[4-methyl-2-(phenoxymethyl)pyrimidin-5-yl]ethanamine

C14H17N3O — CID 103431680

IUPAC(1R)-1-[4-methyl-2-(phenoxymethyl)pyrimidin-5-yl]ethanamine
SMILESCc1nc(COc2ccccc2)ncc1[C@@H](C)N
InChIInChI=1S/C14H17N3O/c1-10(15)13-8-16-14(17-11(13)2)9-18-12-6-4-3-5-7-12/h3-8,10H,9,15H2,1-2H3/t10-/m1/s1
InChIKeyAQIRWYPJAWIZFC-SNVBAGLBSA-N
MW243.31 g/mol
LogP2.38
Rot. Bonds4

About (1R)-1-[4-methyl-2-(phenoxymethyl)pyrimidin-5-yl]ethanamine

(1R)-1-[4-methyl-2-(phenoxymethyl)pyrimidin-5-yl]ethanamine (PubChem CID 103431680) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is (1R)-1-[4-methyl-2-(phenoxymethyl)pyrimidin-5-yl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[4-methyl-2-(phenoxymethyl)pyrimidin-5-yl]ethanamine
PubChem CID103431680
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name(1R)-1-[4-methyl-2-(phenoxymethyl)pyrimidin-5-yl]ethanamine
SMILESCc1nc(COc2ccccc2)ncc1[C@@H](C)N
InChIInChI=1S/C14H17N3O/c1-10(15)13-8-16-14(17-11(13)2)9-18-12-6-4-3-5-7-12/h3-8,10H,9,15H2,1-2H3/t10-/m1/s1
InChIKeyAQIRWYPJAWIZFC-SNVBAGLBSA-N
XLogP2.38
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(2-benzyl-4-methylpyrimidin-5-yl)ethanamine
CID 103431682
1-[4-methyl-2-(2-methylpropyl)pyrimidin-5-yl]ethanamine
CID 62770485
1-[4-methyl-2-(phenoxymethyl)pyrimidin-5-yl]ethanone
CID 62771886
(1R)-1-[4-methyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-5-yl]ethanamine
CID 103476596
(1S)-1-[2-[(2-methoxyphenyl)methyl]-4-methylpyrimidin-5-yl]ethanamine
CID 103432032
(1S)-1-[4-methyl-2-(thiophen-2-ylmethyl)pyrimidin-5-yl]ethanamine
CID 94587586
(1S)-1-[2-(2-methoxypropyl)-4-methylpyrimidin-5-yl]ethanamine
CID 103432077
(1R)-1-[4-methyl-2-(methylsulfanylmethyl)pyrimidin-5-yl]ethanamine
CID 94587549
2-[5-[(1R)-1-aminoethyl]-4-methylpyrimidin-2-yl]acetamide
CID 94587533
2-(phenoxymethyl)-4-propan-2-ylpyrimidine-5-carboxylic acid
CID 62716397
(1S)-1-[2-(tert-butylsulfanylmethyl)-4-methylpyrimidin-5-yl]ethanamine
CID 103431963
3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63352262

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-methyl-2-(phenoxymethyl)pyrimidin-5-yl]ethanamine?
The IUPAC name of (1R)-1-[4-methyl-2-(phenoxymethyl)pyrimidin-5-yl]ethanamine (CID 103431680) is (1R)-1-[4-methyl-2-(phenoxymethyl)pyrimidin-5-yl]ethanamine.
What is the SMILES notation for (1R)-1-[4-methyl-2-(phenoxymethyl)pyrimidin-5-yl]ethanamine?
The canonical SMILES for (1R)-1-[4-methyl-2-(phenoxymethyl)pyrimidin-5-yl]ethanamine is Cc1nc(COc2ccccc2)ncc1[C@@H](C)N.
What is the InChIKey of (1R)-1-[4-methyl-2-(phenoxymethyl)pyrimidin-5-yl]ethanamine?
The InChIKey is AQIRWYPJAWIZFC-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10(15)13-8-16-14(17-11(13)2)9-18-12-6-4-3-5-7-12/h3-8,10H,9,15H2,1-2H3/t10-/m1/s1.
What are the key properties of (1R)-1-[4-methyl-2-(phenoxymethyl)pyrimidin-5-yl]ethanamine?
(1R)-1-[4-methyl-2-(phenoxymethyl)pyrimidin-5-yl]ethanamine has a molecular weight of 243.31 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-methyl-2-(phenoxymethyl)pyrimidin-5-yl]ethanamine is sourced from PubChem (CID 103431680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).