4-[3-(1-methylpiperidin-4-yl)-7-morpholin-4-yl-[1,2]oxazolo[4,5-d]pyrimidin-5-yl]aniline

C21H26N6O2 — CID 145134799

IUPAC4-[3-(1-methylpiperidin-4-yl)-7-morpholin-4-yl-[1,2]oxazolo[4,5-d]pyrimidin-5-yl]aniline
SMILESCN1CCC(c2noc3c(N4CCOCC4)nc(-c4ccc(N)cc4)nc23)CC1
InChIInChI=1S/C21H26N6O2/c1-26-8-6-14(7-9-26)17-18-19(29-25-17)21(27-10-12-28-13-11-27)24-20(23-18)15-2-4-16(22)5-3-15/h2-5,14H,6-13,22H2,1H3
InChIKeyFCCAKLFWZRNLJD-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.51
Rot. Bonds3

About 4-[3-(1-methylpiperidin-4-yl)-7-morpholin-4-yl-[1,2]oxazolo[4,5-d]pyrimidin-5-yl]aniline

4-[3-(1-methylpiperidin-4-yl)-7-morpholin-4-yl-[1,2]oxazolo[4,5-d]pyrimidin-5-yl]aniline (PubChem CID 145134799) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is 4-[3-(1-methylpiperidin-4-yl)-7-morpholin-4-yl-[1,2]oxazolo[4,5-d]pyrimidin-5-yl]aniline.

Molecular Properties

Compound Name4-[3-(1-methylpiperidin-4-yl)-7-morpholin-4-yl-[1,2]oxazolo[4,5-d]pyrimidin-5-yl]aniline
PubChem CID145134799
Molecular FormulaC21H26N6O2
Molecular Weight394.48 g/mol
Exact Mass394.21
IUPAC Name4-[3-(1-methylpiperidin-4-yl)-7-morpholin-4-yl-[1,2]oxazolo[4,5-d]pyrimidin-5-yl]aniline
SMILESCN1CCC(c2noc3c(N4CCOCC4)nc(-c4ccc(N)cc4)nc23)CC1
InChIInChI=1S/C21H26N6O2/c1-26-8-6-14(7-9-26)17-18-19(29-25-17)21(27-10-12-28-13-11-27)24-20(23-18)15-2-4-16(22)5-3-15/h2-5,14H,6-13,22H2,1H3
InChIKeyFCCAKLFWZRNLJD-UHFFFAOYSA-N
XLogP2.51
TPSA93.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-methyl-3-[4-[3-[1-[2-methyl-2-(methylamino)propanoyl]piperidin-4-yl]-7-morpholin-4-yl-[1,2]oxazolo[4,5-d]pyrimidin-5-yl]phenyl]urea
CID 122496503
4-(4-chloro-5-methyl-6-morpholin-4-ylpyrimidin-2-yl)aniline
CID 89181841
1-methyl-3-[4-[7-morpholin-4-yl-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-[1,2]oxazolo[4,5-d]pyrimidin-5-yl]phenyl]urea
CID 122496475
1-[4-[3-(1-benzylpiperidin-4-yl)-7-morpholin-4-yl-[1,2]oxazolo[4,5-d]pyrimidin-5-yl]phenyl]-3-[4-[2-(dimethylamino)ethyl-methylamino]phenyl]urea
CID 122496465
4-(7-morpholin-4-yl-[1,3]oxazolo[5,4-d]pyrimidin-5-yl)aniline
CID 68761453
4-[4-morpholin-4-yl-6-(oxan-4-yl)-1,3,5-triazin-2-yl]aniline
CID 143899780
4-(7-ethyl-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl)aniline
CID 46201892
[2-(4-aminophenyl)-5-ethoxy-6-morpholin-4-ylpyrimidin-4-yl]methanol
CID 67297519
4-(4-morpholin-4-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)aniline
CID 155807823
2-[2-(4-aminophenyl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-7-yl]propan-2-ol
CID 145420416
4-[4-morpholin-4-yl-7-(2,2,2-trifluoroethyl)pyrrolo[2,3-d]pyrimidin-2-yl]aniline
CID 46206789
(3S)-3-[6-(4-aminophenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]-2-tert-butylpiperidine-1-carboxylic acid
CID 69272204

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-methylpiperidin-4-yl)-7-morpholin-4-yl-[1,2]oxazolo[4,5-d]pyrimidin-5-yl]aniline?
The IUPAC name of 4-[3-(1-methylpiperidin-4-yl)-7-morpholin-4-yl-[1,2]oxazolo[4,5-d]pyrimidin-5-yl]aniline (CID 145134799) is 4-[3-(1-methylpiperidin-4-yl)-7-morpholin-4-yl-[1,2]oxazolo[4,5-d]pyrimidin-5-yl]aniline.
What is the SMILES notation for 4-[3-(1-methylpiperidin-4-yl)-7-morpholin-4-yl-[1,2]oxazolo[4,5-d]pyrimidin-5-yl]aniline?
The canonical SMILES for 4-[3-(1-methylpiperidin-4-yl)-7-morpholin-4-yl-[1,2]oxazolo[4,5-d]pyrimidin-5-yl]aniline is CN1CCC(c2noc3c(N4CCOCC4)nc(-c4ccc(N)cc4)nc23)CC1.
What is the InChIKey of 4-[3-(1-methylpiperidin-4-yl)-7-morpholin-4-yl-[1,2]oxazolo[4,5-d]pyrimidin-5-yl]aniline?
The InChIKey is FCCAKLFWZRNLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2/c1-26-8-6-14(7-9-26)17-18-19(29-25-17)21(27-10-12-28-13-11-27)24-20(23-18)15-2-4-16(22)5-3-15/h2-5,14H,6-13,22H2,1H3.
What are the key properties of 4-[3-(1-methylpiperidin-4-yl)-7-morpholin-4-yl-[1,2]oxazolo[4,5-d]pyrimidin-5-yl]aniline?
4-[3-(1-methylpiperidin-4-yl)-7-morpholin-4-yl-[1,2]oxazolo[4,5-d]pyrimidin-5-yl]aniline has a molecular weight of 394.48 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-methylpiperidin-4-yl)-7-morpholin-4-yl-[1,2]oxazolo[4,5-d]pyrimidin-5-yl]aniline is sourced from PubChem (CID 145134799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).