4-(7-ethyl-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl)aniline

C18H21N5O — CID 46201892

IUPAC4-(7-ethyl-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl)aniline
SMILESCCn1ccc2c(N3CCOCC3)nc(-c3ccc(N)cc3)nc21
InChIInChI=1S/C18H21N5O/c1-2-22-8-7-15-17(22)20-16(13-3-5-14(19)6-4-13)21-18(15)23-9-11-24-12-10-23/h3-8H,2,9-12,19H2,1H3
InChIKeyVGTOUQWCZJJAFK-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.54
Rot. Bonds3

About 4-(7-ethyl-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl)aniline

4-(7-ethyl-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl)aniline (PubChem CID 46201892) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 4-(7-ethyl-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl)aniline.

Molecular Properties

Compound Name4-(7-ethyl-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl)aniline
PubChem CID46201892
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name4-(7-ethyl-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl)aniline
SMILESCCn1ccc2c(N3CCOCC3)nc(-c3ccc(N)cc3)nc21
InChIInChI=1S/C18H21N5O/c1-2-22-8-7-15-17(22)20-16(13-3-5-14(19)6-4-13)21-18(15)23-9-11-24-12-10-23/h3-8H,2,9-12,19H2,1H3
InChIKeyVGTOUQWCZJJAFK-UHFFFAOYSA-N
XLogP2.54
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[4-morpholin-4-yl-7-(2,2,2-trifluoroethyl)pyrrolo[2,3-d]pyrimidin-2-yl]aniline
CID 46206789
[2-(4-aminophenyl)-5-ethoxy-6-morpholin-4-ylpyrimidin-4-yl]methanol
CID 67297519
4-(4-chloro-5-methyl-6-morpholin-4-ylpyrimidin-2-yl)aniline
CID 89181841
3-[7-[2-(dimethylamino)ethyl]-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl]phenol
CID 44600808
1-[4-[7-[2-(methylamino)ethyl]-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl]phenyl]-3-pyridin-4-ylurea
CID 44599028
1-[4-[7-[2-(dimethylamino)ethyl]-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl]phenyl]-3-pyridin-4-ylurea
CID 44600955
5-(9-ethyl-6-morpholin-4-ylpurin-2-yl)pyrimidin-2-amine
CID 143903048
4-(7-morpholin-4-yl-[1,3]oxazolo[5,4-d]pyrimidin-5-yl)aniline
CID 68761453
1-[4-[3-(dimethylamino)pyrrolidine-1-carbonyl]-N-[[4-(7-ethyl-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl)phenyl]carbamoyl]anilino]-1-[4-[3-(dimethylamino)pyrrolidine-1-carbonyl]phenyl]-3-[4-(4-morpholin-4-yl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-yl)phenyl]urea
CID 90794629
(3S)-3-[6-(4-aminophenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]-2-tert-butylpiperidine-1-carboxylic acid
CID 69272204
1-[4-[7-[2-[2-(dimethylamino)ethylamino]ethyl]-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl]phenyl]-3-pyridin-4-ylurea
CID 44601448
1-[4-[7-[2-(4-fluoroanilino)ethyl]-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl]phenyl]-3-pyridin-4-ylurea
CID 44601280

Frequently Asked Questions

What is the IUPAC name of 4-(7-ethyl-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl)aniline?
The IUPAC name of 4-(7-ethyl-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl)aniline (CID 46201892) is 4-(7-ethyl-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl)aniline.
What is the SMILES notation for 4-(7-ethyl-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl)aniline?
The canonical SMILES for 4-(7-ethyl-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl)aniline is CCn1ccc2c(N3CCOCC3)nc(-c3ccc(N)cc3)nc21.
What is the InChIKey of 4-(7-ethyl-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl)aniline?
The InChIKey is VGTOUQWCZJJAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-2-22-8-7-15-17(22)20-16(13-3-5-14(19)6-4-13)21-18(15)23-9-11-24-12-10-23/h3-8H,2,9-12,19H2,1H3.
What are the key properties of 4-(7-ethyl-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl)aniline?
4-(7-ethyl-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl)aniline has a molecular weight of 323.40 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-ethyl-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl)aniline is sourced from PubChem (CID 46201892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).