2-chloro-7-[(4-methoxyphenyl)methyl]-N-phenylpyrrolo[2,3-d]pyrimidin-4-amine

C20H17ClN4O — CID 118515683

IUPAC2-chloro-7-[(4-methoxyphenyl)methyl]-N-phenylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(Cn2ccc3c(Nc4ccccc4)nc(Cl)nc32)cc1
InChIInChI=1S/C20H17ClN4O/c1-26-16-9-7-14(8-10-16)13-25-12-11-17-18(23-20(21)24-19(17)25)22-15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,22,23,24)
InChIKeySBHYFEZBLWSPEV-UHFFFAOYSA-N
MW364.84 g/mol
LogP4.89
Rot. Bonds5

About 2-chloro-7-[(4-methoxyphenyl)methyl]-N-phenylpyrrolo[2,3-d]pyrimidin-4-amine

2-chloro-7-[(4-methoxyphenyl)methyl]-N-phenylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 118515683) has the molecular formula C20H17ClN4O and a molecular weight of 364.84 g/mol. Its IUPAC name is 2-chloro-7-[(4-methoxyphenyl)methyl]-N-phenylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-7-[(4-methoxyphenyl)methyl]-N-phenylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID118515683
Molecular FormulaC20H17ClN4O
Molecular Weight364.84 g/mol
Exact Mass364.11
IUPAC Name2-chloro-7-[(4-methoxyphenyl)methyl]-N-phenylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(Cn2ccc3c(Nc4ccccc4)nc(Cl)nc32)cc1
InChIInChI=1S/C20H17ClN4O/c1-26-16-9-7-14(8-10-16)13-25-12-11-17-18(23-20(21)24-19(17)25)22-15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,22,23,24)
InChIKeySBHYFEZBLWSPEV-UHFFFAOYSA-N
XLogP4.89
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.84
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-benzylsulfonyl-2-chloro-N-(4-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 141331023
N-benzyl-2-chloro-9-[(4-methoxyphenyl)methyl]purin-6-amine
CID 24777798
9-benzyl-2-chloro-N-phenylpurin-6-amine;hydrochloride
CID 127258073
2,6-dichloro-4-N,8-N-bis(4-methoxyphenyl)pyrimido[5,4-d]pyrimidine-4,8-diamine
CID 11113034
3-[(7-benzyl-2-chloropyrrolo[2,3-d]pyrimidin-4-yl)amino]bicyclo[2.2.2]octane-2-carboxylic acid
CID 137351842
4-N-(2-chloro-6,7-dimethoxyquinazolin-4-yl)-1-N-phenylbenzene-1,4-diamine
CID 22693012
2-chloro-N-(4-methoxy-2,6-dimethylphenyl)-9-[(4-methoxyphenyl)methyl]purin-6-amine
CID 56930431
9-benzyl-2-chloro-N-(3-propan-2-yloxyphenyl)purin-6-amine
CID 5271944
4-[[2-chloro-6-[(4-methoxyphenyl)methylamino]purin-9-yl]methyl]benzamide
CID 121390711
6-chloro-1-[(4-ethylphenyl)methyl]-N-[(4-methoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 166650677
1-(4-methoxyphenyl)-N-phenylpyrazol-3-amine
CID 21272312
N-[(1-benzylpyrrol-2-yl)methyl]-4-methoxyaniline
CID 171341581

Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-[(4-methoxyphenyl)methyl]-N-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-7-[(4-methoxyphenyl)methyl]-N-phenylpyrrolo[2,3-d]pyrimidin-4-amine (CID 118515683) is 2-chloro-7-[(4-methoxyphenyl)methyl]-N-phenylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-7-[(4-methoxyphenyl)methyl]-N-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-7-[(4-methoxyphenyl)methyl]-N-phenylpyrrolo[2,3-d]pyrimidin-4-amine is COc1ccc(Cn2ccc3c(Nc4ccccc4)nc(Cl)nc32)cc1.
What is the InChIKey of 2-chloro-7-[(4-methoxyphenyl)methyl]-N-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is SBHYFEZBLWSPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O/c1-26-16-9-7-14(8-10-16)13-25-12-11-17-18(23-20(21)24-19(17)25)22-15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,22,23,24).
What are the key properties of 2-chloro-7-[(4-methoxyphenyl)methyl]-N-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
2-chloro-7-[(4-methoxyphenyl)methyl]-N-phenylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 364.84 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-[(4-methoxyphenyl)methyl]-N-phenylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 118515683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).