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

C20H18N4O — CID 91339578

IUPAC2-benzyl-6-(4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(-c2cc3c(N)nc(Cc4ccccc4)nc3[nH]2)cc1
InChIInChI=1S/C20H18N4O/c1-25-15-9-7-14(8-10-15)17-12-16-19(21)23-18(24-20(16)22-17)11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H3,21,22,23,24)
InChIKeyNIZOYDLQWAYJQH-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.81
Rot. Bonds4

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

2-benzyl-6-(4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 91339578) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-benzyl-6-(4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-benzyl-6-(4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID91339578
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC Name2-benzyl-6-(4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(-c2cc3c(N)nc(Cc4ccccc4)nc3[nH]2)cc1
InChIInChI=1S/C20H18N4O/c1-25-15-9-7-14(8-10-15)17-12-16-19(21)23-18(24-20(16)22-17)11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H3,21,22,23,24)
InChIKeyNIZOYDLQWAYJQH-UHFFFAOYSA-N
XLogP3.81
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-benzyl-4-(4-methoxyphenyl)-1H-pyrazol-3-amine
CID 6456520
5-benzyl-4,6-bis(4-methoxyphenyl)pyrimidin-2-amine
CID 139449734
5-benzyl-4-(4-methoxyphenyl)-6-phenylpyrimidin-2-amine
CID 139449783
2-[(3-methoxyphenyl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 61025987
4-(4-methoxyphenyl)-6-phenyl-2-[4-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine
CID 172880278
3-benzyl-5-(4-methoxyphenyl)pyrazin-2-amine;ethane
CID 153387650
methyl 4-amino-2-[(3-methoxyphenyl)methyl]-6-methylpyrimidine-5-carboxylate
CID 116647516
6-[(4-methoxyphenyl)methyl]-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine
CID 58321884
2-benzyl-6-iodoquinazolin-4-amine
CID 163550533
2-benzyl-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
CID 69221588
2-benzyl-N-[(4-methoxyphenyl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 91965004
1-benzyl-4-methoxybenzene;molecular nitrogen
CID 175140604

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-(4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-benzyl-6-(4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 91339578) is 2-benzyl-6-(4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-benzyl-6-(4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-benzyl-6-(4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is COc1ccc(-c2cc3c(N)nc(Cc4ccccc4)nc3[nH]2)cc1.
What is the InChIKey of 2-benzyl-6-(4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is NIZOYDLQWAYJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c1-25-15-9-7-14(8-10-15)17-12-16-19(21)23-18(24-20(16)22-17)11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H3,21,22,23,24).
What are the key properties of 2-benzyl-6-(4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
2-benzyl-6-(4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 330.39 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-(4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 91339578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).