2-[6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylpyrimidin-4-yl]ethanamine

C13H22N4O — CID 56720263

IUPAC2-[6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylpyrimidin-4-yl]ethanamine
SMILESCOC[C@@H]1CCCN1c1cc(CCN)nc(C)n1
InChIInChI=1S/C13H22N4O/c1-10-15-11(5-6-14)8-13(16-10)17-7-3-4-12(17)9-18-2/h8,12H,3-7,9,14H2,1-2H3/t12-/m0/s1
InChIKeyODRWFVXEPRBGEZ-LBPRGKRZSA-N
MW250.35 g/mol
LogP0.90
Rot. Bonds5

About 2-[6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylpyrimidin-4-yl]ethanamine

2-[6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylpyrimidin-4-yl]ethanamine (PubChem CID 56720263) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-[6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylpyrimidin-4-yl]ethanamine.

Molecular Properties

Compound Name2-[6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylpyrimidin-4-yl]ethanamine
PubChem CID56720263
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-[6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylpyrimidin-4-yl]ethanamine
SMILESCOC[C@@H]1CCCN1c1cc(CCN)nc(C)n1
InChIInChI=1S/C13H22N4O/c1-10-15-11(5-6-14)8-13(16-10)17-7-3-4-12(17)9-18-2/h8,12H,3-7,9,14H2,1-2H3/t12-/m0/s1
InChIKeyODRWFVXEPRBGEZ-LBPRGKRZSA-N
XLogP0.90
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-[(2R)-2-ethylpiperidin-1-yl]-2-methylpyrimidin-4-yl]ethanamine
CID 95218180
4-chloro-6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylpyrimidine
CID 129320611
sodium 1-[6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylpyrimidin-4-yl]oxycyclopropane-1-carboxylate
CID 58134473
2-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-2-yl]ethanamine
CID 63767587
4-[2-(methoxymethyl)pyrrolidin-1-yl]pyrimidine
CID 173471259
6-[2-(methoxymethyl)piperidin-1-yl]pyridin-3-amine
CID 121201557
6-[(2R)-2-(methoxymethyl)piperidin-1-yl]pyridin-3-amine
CID 129359535
[1-(6-amino-2-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 80794639
4,6-bis(2-ethylpiperidin-1-yl)-2-methylpyrimidine
CID 112876455
4-[2-(chloromethyl)piperidin-1-yl]-6-methoxy-2-methylpyrimidine
CID 66331673
4-[2-(chloromethyl)pyrrolidin-1-yl]-6-ethoxy-2-methylpyrimidine
CID 66331103
6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 129495333

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylpyrimidin-4-yl]ethanamine?
The IUPAC name of 2-[6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylpyrimidin-4-yl]ethanamine (CID 56720263) is 2-[6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylpyrimidin-4-yl]ethanamine.
What is the SMILES notation for 2-[6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylpyrimidin-4-yl]ethanamine?
The canonical SMILES for 2-[6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylpyrimidin-4-yl]ethanamine is COC[C@@H]1CCCN1c1cc(CCN)nc(C)n1.
What is the InChIKey of 2-[6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylpyrimidin-4-yl]ethanamine?
The InChIKey is ODRWFVXEPRBGEZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H22N4O/c1-10-15-11(5-6-14)8-13(16-10)17-7-3-4-12(17)9-18-2/h8,12H,3-7,9,14H2,1-2H3/t12-/m0/s1.
What are the key properties of 2-[6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylpyrimidin-4-yl]ethanamine?
2-[6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylpyrimidin-4-yl]ethanamine has a molecular weight of 250.35 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylpyrimidin-4-yl]ethanamine is sourced from PubChem (CID 56720263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).