[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl] carbamate

C14H13N5O2 — CID 155108832

IUPAC[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl] carbamate
SMILESCn1cc(-c2ccc(OC(N)=O)cc2)c2c(N)ncnc21
InChIInChI=1S/C14H13N5O2/c1-19-6-10(11-12(15)17-7-18-13(11)19)8-2-4-9(5-3-8)21-14(16)20/h2-7H,1H3,(H2,16,20)(H2,15,17,18)
InChIKeySEVQSTKKUBREBP-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.67
Rot. Bonds2

About [4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl] carbamate

[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl] carbamate (PubChem CID 155108832) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is [4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl] carbamate.

Molecular Properties

Compound Name[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl] carbamate
PubChem CID155108832
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC Name[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl] carbamate
SMILESCn1cc(-c2ccc(OC(N)=O)cc2)c2c(N)ncnc21
InChIInChI=1S/C14H13N5O2/c1-19-6-10(11-12(15)17-7-18-13(11)19)8-2-4-9(5-3-8)21-14(16)20/h2-7H,1H3,(H2,16,20)(H2,15,17,18)
InChIKeySEVQSTKKUBREBP-UHFFFAOYSA-N
XLogP1.67
TPSA109.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

7-[trans-4-(4-Methylpiperazin-1-Yl)cyclohexyl]-5-(4-Phenoxyphenyl)-7h-Pyrrolo[2,3-D]pyrimidin-4-Amine
CID 6539952
7-Cyclopentyl-5-(4-phenoxy)phenyl-7H-pyrrolo(2,3-d)pyrimidin-4-ylamine
CID 6603792
5-(4-Phenoxyphenyl)-7-(Tetrahydro-2h-Pyran-4-Yl)-7h-Pyrrolo[2,3-D]pyrimidin-4-Amine
CID 22736361
3-(3-methoxybenzyl)-1H-pyrrolo(2,3-b)pyridine
CID 24180722
5-(4-Phenoxyphenyl)-7-[4-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 9870993
7-Isopropyl-5-(4-phenoxy-phenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-ylamine
CID 19597433
7-tert-butyl-5-[4-(4-methoxyphenoxy)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 19597465
2-[4-Amino-5-(4-phenoxy-phenyl)-pyrrolo[2,3-d]pyrimidin-7-yl]-cyclopentanol
CID 19597468
4-[4-(4-Amino-7-tert-butyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-phenoxy]-phenol
CID 19597536
3-[4-amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl]cyclopentan-1-ol
CID 22736235
6-(4-methoxybenzyl)-7-neopentyl-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile
CID 44444208
(2~{s})-2-[[4-[4-Azanyl-5-(4-Phenoxyphenyl)pyrrolo[2,3-D]pyrimidin-7-Yl]cyclohexyl]amino]-4-Methyl-Pentanamide
CID 131632970

Frequently Asked Questions

What is the IUPAC name of [4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl] carbamate?
The IUPAC name of [4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl] carbamate (CID 155108832) is [4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl] carbamate.
What is the SMILES notation for [4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl] carbamate?
The canonical SMILES for [4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl] carbamate is Cn1cc(-c2ccc(OC(N)=O)cc2)c2c(N)ncnc21.
What is the InChIKey of [4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl] carbamate?
The InChIKey is SEVQSTKKUBREBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2/c1-19-6-10(11-12(15)17-7-18-13(11)19)8-2-4-9(5-3-8)21-14(16)20/h2-7H,1H3,(H2,16,20)(H2,15,17,18).
What are the key properties of [4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl] carbamate?
[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl] carbamate has a molecular weight of 283.29 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl] carbamate is sourced from PubChem (CID 155108832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).