[4-[4-chloro-7-(2-hydroxyethyl)pyrrolo[2,3-d]pyrimidin-5-yl]phenyl] carbamate

C15H13ClN4O3 — CID 175193679

IUPAC[4-[4-chloro-7-(2-hydroxyethyl)pyrrolo[2,3-d]pyrimidin-5-yl]phenyl] carbamate
SMILESNC(=O)Oc1ccc(-c2cn(CCO)c3ncnc(Cl)c23)cc1
InChIInChI=1S/C15H13ClN4O3/c16-13-12-11(7-20(5-6-21)14(12)19-8-18-13)9-1-3-10(4-2-9)23-15(17)22/h1-4,7-8,21H,5-6H2,(H2,17,22)
InChIKeyRFYLUGFNQQGPJS-UHFFFAOYSA-N
MW332.75 g/mol
LogP2.20
Rot. Bonds4

About [4-[4-chloro-7-(2-hydroxyethyl)pyrrolo[2,3-d]pyrimidin-5-yl]phenyl] carbamate

[4-[4-chloro-7-(2-hydroxyethyl)pyrrolo[2,3-d]pyrimidin-5-yl]phenyl] carbamate (PubChem CID 175193679) has the molecular formula C15H13ClN4O3 and a molecular weight of 332.75 g/mol. Its IUPAC name is [4-[4-chloro-7-(2-hydroxyethyl)pyrrolo[2,3-d]pyrimidin-5-yl]phenyl] carbamate.

Molecular Properties

Compound Name[4-[4-chloro-7-(2-hydroxyethyl)pyrrolo[2,3-d]pyrimidin-5-yl]phenyl] carbamate
PubChem CID175193679
Molecular FormulaC15H13ClN4O3
Molecular Weight332.75 g/mol
Exact Mass332.07
IUPAC Name[4-[4-chloro-7-(2-hydroxyethyl)pyrrolo[2,3-d]pyrimidin-5-yl]phenyl] carbamate
SMILESNC(=O)Oc1ccc(-c2cn(CCO)c3ncnc(Cl)c23)cc1
InChIInChI=1S/C15H13ClN4O3/c16-13-12-11(7-20(5-6-21)14(12)19-8-18-13)9-1-3-10(4-2-9)23-15(17)22/h1-4,7-8,21H,5-6H2,(H2,17,22)
InChIKeyRFYLUGFNQQGPJS-UHFFFAOYSA-N
XLogP2.20
TPSA103.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.75
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl] carbamate
CID 155108832
4-[4-chloro-7-(2-methylsulfanylethyl)pyrrolo[2,3-d]pyrimidin-5-yl]aniline
CID 135198197
2-[5-(4-amino-2-fluorophenyl)-4-chloropyrrolo[2,3-d]pyrimidin-7-yl]ethanol
CID 162356308
tert-butyl N-[4-[4-chloro-7-(2-oxopropyl)pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]carbamate
CID 175182663
4-(4-chloro-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)aniline
CID 122512826
[2-tert-butyl-4-(4-chloro-7-cyclopropylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl] carbamate
CID 175902630
ethyl 2-[4-chloro-5-(2-chlorophenyl)pyrrolo[2,3-d]pyrimidin-7-yl]acetate
CID 89166694
2-[4-chloro-5-(2-chlorophenyl)pyrrolo[2,3-d]pyrimidin-7-yl]acetic acid
CID 87609031
N-[3-(7-but-3-enyl-4-chloropyrrolo[2,3-d]pyrimidin-5-yl)phenyl]benzamide
CID 58001849
6-[4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]quinolin-3-ol
CID 172562690
3-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-[2-[bis(2-aminoethyl)amino]ethyl]propanamide
CID 70208372
[4-(4-chloro-2-pyridinyl)phenyl] carbamate
CID 175565637

Frequently Asked Questions

What is the IUPAC name of [4-[4-chloro-7-(2-hydroxyethyl)pyrrolo[2,3-d]pyrimidin-5-yl]phenyl] carbamate?
The IUPAC name of [4-[4-chloro-7-(2-hydroxyethyl)pyrrolo[2,3-d]pyrimidin-5-yl]phenyl] carbamate (CID 175193679) is [4-[4-chloro-7-(2-hydroxyethyl)pyrrolo[2,3-d]pyrimidin-5-yl]phenyl] carbamate.
What is the SMILES notation for [4-[4-chloro-7-(2-hydroxyethyl)pyrrolo[2,3-d]pyrimidin-5-yl]phenyl] carbamate?
The canonical SMILES for [4-[4-chloro-7-(2-hydroxyethyl)pyrrolo[2,3-d]pyrimidin-5-yl]phenyl] carbamate is NC(=O)Oc1ccc(-c2cn(CCO)c3ncnc(Cl)c23)cc1.
What is the InChIKey of [4-[4-chloro-7-(2-hydroxyethyl)pyrrolo[2,3-d]pyrimidin-5-yl]phenyl] carbamate?
The InChIKey is RFYLUGFNQQGPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O3/c16-13-12-11(7-20(5-6-21)14(12)19-8-18-13)9-1-3-10(4-2-9)23-15(17)22/h1-4,7-8,21H,5-6H2,(H2,17,22).
What are the key properties of [4-[4-chloro-7-(2-hydroxyethyl)pyrrolo[2,3-d]pyrimidin-5-yl]phenyl] carbamate?
[4-[4-chloro-7-(2-hydroxyethyl)pyrrolo[2,3-d]pyrimidin-5-yl]phenyl] carbamate has a molecular weight of 332.75 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-chloro-7-(2-hydroxyethyl)pyrrolo[2,3-d]pyrimidin-5-yl]phenyl] carbamate is sourced from PubChem (CID 175193679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).