3-methyl-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

C19H23N5O2 — CID 99844664

IUPAC3-methyl-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCc1ccc([C@@H](CNc2ncnc3onc(C)c23)N2CCOCC2)cc1
InChIInChI=1S/C19H23N5O2/c1-13-3-5-15(6-4-13)16(24-7-9-25-10-8-24)11-20-18-17-14(2)23-26-19(17)22-12-21-18/h3-6,12,16H,7-11H2,1-2H3,(H,20,21,22)/t16-/m1/s1
InChIKeyXAOABWSVNIISNQ-MRXNPFEDSA-N
MW353.43 g/mol
LogP2.72
Rot. Bonds5

About 3-methyl-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

3-methyl-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (PubChem CID 99844664) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 3-methyl-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-methyl-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
PubChem CID99844664
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name3-methyl-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCc1ccc([C@@H](CNc2ncnc3onc(C)c23)N2CCOCC2)cc1
InChIInChI=1S/C19H23N5O2/c1-13-3-5-15(6-4-13)16(24-7-9-25-10-8-24)11-20-18-17-14(2)23-26-19(17)22-12-21-18/h3-6,12,16H,7-11H2,1-2H3,(H,20,21,22)/t16-/m1/s1
InChIKeyXAOABWSVNIISNQ-MRXNPFEDSA-N
XLogP2.72
TPSA76.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-fluoro-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]quinazolin-4-amine
CID 78901218
(1S)-2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]-1-(oxan-4-yl)ethanol
CID 100612013
5,7-dimethyl-N-[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]pyrido[2,3-d]pyrimidin-4-amine
CID 97210458
[5-chloro-6-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133273383
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-7H-purin-6-amine
CID 94145816
5,6-diethyl-3-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]pyridazine-4-carbonitrile
CID 133359909
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]thieno[2,3-d]pyrimidin-4-amine
CID 17418626
(2S)-2-amino-3,3-dimethyl-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]butanamide
CID 119859917
N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-1,3-benzothiazol-2-amine
CID 60506241
6-methoxy-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]pyrimidin-4-amine
CID 75469274
4-methyl-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 30834547
N-[(4-methylphenyl)methyl]-N'-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxamide
CID 30835185

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of 3-methyl-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (CID 99844664) is 3-methyl-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-methyl-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-methyl-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is Cc1ccc([C@@H](CNc2ncnc3onc(C)c23)N2CCOCC2)cc1.
What is the InChIKey of 3-methyl-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is XAOABWSVNIISNQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-13-3-5-15(6-4-13)16(24-7-9-25-10-8-24)11-20-18-17-14(2)23-26-19(17)22-12-21-18/h3-6,12,16H,7-11H2,1-2H3,(H,20,21,22)/t16-/m1/s1.
What are the key properties of 3-methyl-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
3-methyl-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 353.43 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 99844664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).