N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(2-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

C19H23N5O2 — CID 92726579

IUPACN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(2-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCCN1CCC[C@H]1CNc1ncnc2onc(-c3ccccc3OC)c12
InChIInChI=1S/C19H23N5O2/c1-3-24-10-6-7-13(24)11-20-18-16-17(23-26-19(16)22-12-21-18)14-8-4-5-9-15(14)25-2/h4-5,8-9,12-13H,3,6-7,10-11H2,1-2H3,(H,20,21,22)/t13-/m0/s1
InChIKeyDAHXRFXFEURJRP-ZDUSSCGKSA-N
MW353.43 g/mol
LogP3.19
Rot. Bonds6

About N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(2-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(2-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (PubChem CID 92726579) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(2-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(2-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
PubChem CID92726579
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC NameN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(2-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCCN1CCC[C@H]1CNc1ncnc2onc(-c3ccccc3OC)c12
InChIInChI=1S/C19H23N5O2/c1-3-24-10-6-7-13(24)11-20-18-16-17(23-26-19(16)22-12-21-18)14-8-4-5-9-15(14)25-2/h4-5,8-9,12-13H,3,6-7,10-11H2,1-2H3,(H,20,21,22)/t13-/m0/s1
InChIKeyDAHXRFXFEURJRP-ZDUSSCGKSA-N
XLogP3.19
TPSA76.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 46280325
4-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80777082
4-(4-benzylpiperazin-1-yl)-3-(2-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidine
CID 46359635
N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methoxypyrimidin-4-amine
CID 66325160
N-[(1-ethylpyrrolidin-2-yl)methyl]-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80944201
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-methoxyphenyl)quinazolin-4-amine
CID 20963130
3-(3-chlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 20873327
5-(2,6-dimethoxyphenyl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1,2,4-triazin-3-amine
CID 26330376
1-[(1-ethylpyrrolidin-2-yl)methyl]-3-[4-(2-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]urea
CID 72911546
N-[(2-ethoxy-3-methoxyphenyl)methyl]-1-[(2S)-1-ethylpyrrolidin-2-yl]methanamine
CID 51628251
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N'-(2-methoxyphenyl)oxamide
CID 2206007
4-(2-methoxyphenyl)-N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]pyrimidin-2-amine
CID 146107455

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(2-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(2-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (CID 92726579) is N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(2-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(2-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(2-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is CCN1CCC[C@H]1CNc1ncnc2onc(-c3ccccc3OC)c12.
What is the InChIKey of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(2-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is DAHXRFXFEURJRP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-3-24-10-6-7-13(24)11-20-18-16-17(23-26-19(16)22-12-21-18)14-8-4-5-9-15(14)25-2/h4-5,8-9,12-13H,3,6-7,10-11H2,1-2H3,(H,20,21,22)/t13-/m0/s1.
What are the key properties of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(2-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(2-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 353.43 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(2-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 92726579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).