N-[3-[(2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-4-methylphenyl]acetamide

C17H19N5O — CID 110430765

IUPACN-[3-[(2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-4-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(C)c(Nc2nc(C)nc3[nH]c(C)cc23)c1
InChIInChI=1S/C17H19N5O/c1-9-5-6-13(21-12(4)23)8-15(9)22-17-14-7-10(2)18-16(14)19-11(3)20-17/h5-8H,1-4H3,(H,21,23)(H2,18,19,20,22)
InChIKeyGZROZSBJMGRPMH-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.59
Rot. Bonds3

About N-[3-[(2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-4-methylphenyl]acetamide

N-[3-[(2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-4-methylphenyl]acetamide (PubChem CID 110430765) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[3-[(2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-4-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-4-methylphenyl]acetamide
PubChem CID110430765
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC NameN-[3-[(2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-4-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(C)c(Nc2nc(C)nc3[nH]c(C)cc23)c1
InChIInChI=1S/C17H19N5O/c1-9-5-6-13(21-12(4)23)8-15(9)22-17-14-7-10(2)18-16(14)19-11(3)20-17/h5-8H,1-4H3,(H,21,23)(H2,18,19,20,22)
InChIKeyGZROZSBJMGRPMH-UHFFFAOYSA-N
XLogP3.59
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-4-methylbenzoic acid
CID 110430640
2,6-dimethyl-N-(2-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430273
propyl 4-[(2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzoate
CID 110430937
butyl 4-[(2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzoate
CID 110431097
N-(3-chloro-4-fluorophenyl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430592
N-(5-chloro-2-methylphenyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110431209
N-(5-acetamido-2-methylphenyl)-4-fluorobenzamide
CID 60764705
N-[3-[(3,4-dimethylphenyl)methylamino]-4-methylphenyl]acetamide
CID 43789839
N-(5-acetamido-2-methylphenyl)-2-amino-3-methylbutanamide
CID 43697583
N-[4-methyl-3-[(5-pyridin-3-yl-1H-imidazol-2-yl)amino]phenyl]acetamide
CID 24971059
N-(5-acetamido-2-methylphenyl)-2-chloropropanamide
CID 43696197
methyl 4-[[6-methyl-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzoate
CID 110431226

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-4-methylphenyl]acetamide?
The IUPAC name of N-[3-[(2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-4-methylphenyl]acetamide (CID 110430765) is N-[3-[(2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-4-methylphenyl]acetamide.
What is the SMILES notation for N-[3-[(2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-4-methylphenyl]acetamide?
The canonical SMILES for N-[3-[(2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-4-methylphenyl]acetamide is CC(=O)Nc1ccc(C)c(Nc2nc(C)nc3[nH]c(C)cc23)c1.
What is the InChIKey of N-[3-[(2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-4-methylphenyl]acetamide?
The InChIKey is GZROZSBJMGRPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-9-5-6-13(21-12(4)23)8-15(9)22-17-14-7-10(2)18-16(14)19-11(3)20-17/h5-8H,1-4H3,(H,21,23)(H2,18,19,20,22).
What are the key properties of N-[3-[(2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-4-methylphenyl]acetamide?
N-[3-[(2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-4-methylphenyl]acetamide has a molecular weight of 309.37 g/mol, XLogP of 3.59, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-4-methylphenyl]acetamide is sourced from PubChem (CID 110430765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).