phenyl N-[4-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)oxyphenyl]carbamate

C20H16N4O3 — CID 169186337

IUPACphenyl N-[4-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)oxyphenyl]carbamate
SMILESCn1ccc2c(Oc3ccc(NC(=O)Oc4ccccc4)cc3)ncnc21
InChIInChI=1S/C20H16N4O3/c1-24-12-11-17-18(24)21-13-22-19(17)26-16-9-7-14(8-10-16)23-20(25)27-15-5-3-2-4-6-15/h2-13H,1H3,(H,23,25)
InChIKeyPTTAJBMKUUXLTH-UHFFFAOYSA-N
MW360.37 g/mol
LogP4.37
Rot. Bonds4

About phenyl N-[4-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)oxyphenyl]carbamate

phenyl N-[4-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)oxyphenyl]carbamate (PubChem CID 169186337) has the molecular formula C20H16N4O3 and a molecular weight of 360.37 g/mol. Its IUPAC name is phenyl N-[4-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)oxyphenyl]carbamate.

Molecular Properties

Compound Namephenyl N-[4-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)oxyphenyl]carbamate
PubChem CID169186337
Molecular FormulaC20H16N4O3
Molecular Weight360.37 g/mol
Exact Mass360.12
IUPAC Namephenyl N-[4-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)oxyphenyl]carbamate
SMILESCn1ccc2c(Oc3ccc(NC(=O)Oc4ccccc4)cc3)ncnc21
InChIInChI=1S/C20H16N4O3/c1-24-12-11-17-18(24)21-13-22-19(17)26-16-9-7-14(8-10-16)23-20(25)27-15-5-3-2-4-6-15/h2-13H,1H3,(H,23,25)
InChIKeyPTTAJBMKUUXLTH-UHFFFAOYSA-N
XLogP4.37
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

phenyl 4-[4-(trifluoromethylamino)phenoxy]pyrrolo[2,3-d]pyrimidine-7-carboxylate
CID 170214342
[2-(dimethylamino)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl] N-phenylcarbamate
CID 143605670
N-[4-(7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-yl)oxyphenyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 169186319
(4-acetamidophenyl) N-phenylcarbamate
CID 58706000
phenyl 4-(4-phenoxyanilino)pyrrolo[2,3-d]pyrimidine-7-carboxylate
CID 176914831
1-(3-methoxyphenyl)-3-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxyphenyl]urea
CID 71575214
[4-(phenoxycarbonylamino)phenyl] 2-methylprop-2-enoate
CID 19076921
phenyl N-(4-iodophenyl)carbamate
CID 73442286
N-[4-[7-(3-hydroxypropyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxyphenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 169186280
phenyl N-[4-(6-methylpyridin-1-ium-3-yl)oxyphenyl]carbamate chloride
CID 110188496
phenyl N-[4-(4-methylpiperazin-1-yl)phenyl]carbamate
CID 4552577
(3-propan-2-yltriazolo[4,5-d]pyrimidin-7-yl) N-phenylcarbamate
CID 70826413

Frequently Asked Questions

What is the IUPAC name of phenyl N-[4-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)oxyphenyl]carbamate?
The IUPAC name of phenyl N-[4-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)oxyphenyl]carbamate (CID 169186337) is phenyl N-[4-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)oxyphenyl]carbamate.
What is the SMILES notation for phenyl N-[4-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)oxyphenyl]carbamate?
The canonical SMILES for phenyl N-[4-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)oxyphenyl]carbamate is Cn1ccc2c(Oc3ccc(NC(=O)Oc4ccccc4)cc3)ncnc21.
What is the InChIKey of phenyl N-[4-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)oxyphenyl]carbamate?
The InChIKey is PTTAJBMKUUXLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3/c1-24-12-11-17-18(24)21-13-22-19(17)26-16-9-7-14(8-10-16)23-20(25)27-15-5-3-2-4-6-15/h2-13H,1H3,(H,23,25).
What are the key properties of phenyl N-[4-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)oxyphenyl]carbamate?
phenyl N-[4-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)oxyphenyl]carbamate has a molecular weight of 360.37 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[4-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)oxyphenyl]carbamate is sourced from PubChem (CID 169186337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).