N-benzyl-6-(3-methoxyphenyl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C21H20N4O — CID 171513273

IUPACN-benzyl-6-(3-methoxyphenyl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCOc1cccc(-c2cc3c(N(C)Cc4ccccc4)ncnc3[nH]2)c1
InChIInChI=1S/C21H20N4O/c1-25(13-15-7-4-3-5-8-15)21-18-12-19(24-20(18)22-14-23-21)16-9-6-10-17(11-16)26-2/h3-12,14H,13H2,1-2H3,(H,22,23,24)
InChIKeyUMRLYHBJBBNYCF-UHFFFAOYSA-N
MW344.42 g/mol
LogP4.27
Rot. Bonds5

About N-benzyl-6-(3-methoxyphenyl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-benzyl-6-(3-methoxyphenyl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 171513273) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is N-benzyl-6-(3-methoxyphenyl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-6-(3-methoxyphenyl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID171513273
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC NameN-benzyl-6-(3-methoxyphenyl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCOc1cccc(-c2cc3c(N(C)Cc4ccccc4)ncnc3[nH]2)c1
InChIInChI=1S/C21H20N4O/c1-25(13-15-7-4-3-5-8-15)21-18-12-19(24-20(18)22-14-23-21)16-9-6-10-17(11-16)26-2/h3-12,14H,13H2,1-2H3,(H,22,23,24)
InChIKeyUMRLYHBJBBNYCF-UHFFFAOYSA-N
XLogP4.27
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[benzyl(methyl)amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenol
CID 171513310
ethane;6-(3-methoxyphenyl)-N-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 143080945
6-[4-[(dimethylamino)methyl]phenyl]-N-[(3-methoxyphenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 69180833
3-[4-(3-methoxyphenoxy)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]aniline
CID 46855835
6-(4-methoxyphenyl)-N-methyl-N-(oxan-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 171513406
6-(3-methoxyphenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 135836115
N-[(3-chlorophenyl)methyl]-N-methyl-6-[4-(morpholin-4-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 171513327
6-(3-aminophenyl)-N-methyl-N-(oxan-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 171513359
6-[3-(diethylaminomethyl)phenyl]-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 174469023
N-[(3-methoxyphenyl)methyl]-N-methylaniline
CID 66916764
N-benzyl-N-ethyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430366
N-benzyl-3-(3-methoxyphenyl)-N-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 126471747

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-(3-methoxyphenyl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-benzyl-6-(3-methoxyphenyl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 171513273) is N-benzyl-6-(3-methoxyphenyl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-benzyl-6-(3-methoxyphenyl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-benzyl-6-(3-methoxyphenyl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is COc1cccc(-c2cc3c(N(C)Cc4ccccc4)ncnc3[nH]2)c1.
What is the InChIKey of N-benzyl-6-(3-methoxyphenyl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is UMRLYHBJBBNYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c1-25(13-15-7-4-3-5-8-15)21-18-12-19(24-20(18)22-14-23-21)16-9-6-10-17(11-16)26-2/h3-12,14H,13H2,1-2H3,(H,22,23,24).
What are the key properties of N-benzyl-6-(3-methoxyphenyl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-benzyl-6-(3-methoxyphenyl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 344.42 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-(3-methoxyphenyl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 171513273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).