2-methoxy-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-6-(3-methoxyphenyl)pyrimidin-4-amine

C23H24N4O3 — CID 53317887

IUPAC2-methoxy-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-6-(3-methoxyphenyl)pyrimidin-4-amine
SMILESCOc1cccc(-c2cc(NCCc3c[nH]c4cc(OC)ccc34)nc(OC)n2)c1
InChIInChI=1S/C23H24N4O3/c1-28-17-6-4-5-15(11-17)20-13-22(27-23(26-20)30-3)24-10-9-16-14-25-21-12-18(29-2)7-8-19(16)21/h4-8,11-14,25H,9-10H2,1-3H3,(H,24,26,27)
InChIKeyMWDNXBVPIDBXKP-UHFFFAOYSA-N
MW404.47 g/mol
LogP4.31
Rot. Bonds8

About 2-methoxy-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-6-(3-methoxyphenyl)pyrimidin-4-amine

2-methoxy-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-6-(3-methoxyphenyl)pyrimidin-4-amine (PubChem CID 53317887) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 2-methoxy-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-6-(3-methoxyphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-methoxy-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-6-(3-methoxyphenyl)pyrimidin-4-amine
PubChem CID53317887
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name2-methoxy-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-6-(3-methoxyphenyl)pyrimidin-4-amine
SMILESCOc1cccc(-c2cc(NCCc3c[nH]c4cc(OC)ccc34)nc(OC)n2)c1
InChIInChI=1S/C23H24N4O3/c1-28-17-6-4-5-15(11-17)20-13-22(27-23(26-20)30-3)24-10-9-16-14-25-21-12-18(29-2)7-8-19(16)21/h4-8,11-14,25H,9-10H2,1-3H3,(H,24,26,27)
InChIKeyMWDNXBVPIDBXKP-UHFFFAOYSA-N
XLogP4.31
TPSA81.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]acetonitrile
CID 53321838
3-[3-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]phenoxy]-3-methylbutan-2-one
CID 58990372
2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyrimidin-4-amine
CID 11625845
4-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-6-(2,2,2-trifluoroethoxy)-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 87237325
4-N-[2-(1H-indol-3-yl)ethyl]-2-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112918561
2-[2-(6-methoxy-1H-indol-3-yl)ethylamino]acetonitrile
CID 19837019
4-N-[2-(1H-indol-3-yl)ethyl]-6-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112861587
1-hydroxy-4-[3-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]phenoxy]-4-methylpentan-3-one
CID 67962826
4-N-[2-(1H-indol-3-yl)ethyl]-2-N-(2-methoxyethyl)-6-phenylpyrimidine-2,4-diamine
CID 112935022
2-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]phenol
CID 135509970
1-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-2-methylbenzene-1,4-diamine
CID 143202760
4-N-[2-(1H-indol-3-yl)ethyl]-2-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895241

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-6-(3-methoxyphenyl)pyrimidin-4-amine?
The IUPAC name of 2-methoxy-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-6-(3-methoxyphenyl)pyrimidin-4-amine (CID 53317887) is 2-methoxy-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-6-(3-methoxyphenyl)pyrimidin-4-amine.
What is the SMILES notation for 2-methoxy-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-6-(3-methoxyphenyl)pyrimidin-4-amine?
The canonical SMILES for 2-methoxy-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-6-(3-methoxyphenyl)pyrimidin-4-amine is COc1cccc(-c2cc(NCCc3c[nH]c4cc(OC)ccc34)nc(OC)n2)c1.
What is the InChIKey of 2-methoxy-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-6-(3-methoxyphenyl)pyrimidin-4-amine?
The InChIKey is MWDNXBVPIDBXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-28-17-6-4-5-15(11-17)20-13-22(27-23(26-20)30-3)24-10-9-16-14-25-21-12-18(29-2)7-8-19(16)21/h4-8,11-14,25H,9-10H2,1-3H3,(H,24,26,27).
What are the key properties of 2-methoxy-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-6-(3-methoxyphenyl)pyrimidin-4-amine?
2-methoxy-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-6-(3-methoxyphenyl)pyrimidin-4-amine has a molecular weight of 404.47 g/mol, XLogP of 4.31, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-6-(3-methoxyphenyl)pyrimidin-4-amine is sourced from PubChem (CID 53317887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).