2-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-6-[(1-methylindol-4-yl)amino]pyrimidine-4-carboxamide

C25H25N7O2 — CID 66549864

IUPAC2-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-6-[(1-methylindol-4-yl)amino]pyrimidine-4-carboxamide
SMILESCOc1ccc2[nH]cc(CCNc3nc(Nc4cccc5c4ccn5C)cc(C(N)=O)n3)c2c1
InChIInChI=1S/C25H25N7O2/c1-32-11-9-17-20(4-3-5-22(17)32)29-23-13-21(24(26)33)30-25(31-23)27-10-8-15-14-28-19-7-6-16(34-2)12-18(15)19/h3-7,9,11-14,28H,8,10H2,1-2H3,(H2,26,33)(H2,27,29,30,31)
InChIKeyAWXSKTBHVQJWNC-UHFFFAOYSA-N
MW455.52 g/mol
LogP3.96
Rot. Bonds8

About 2-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-6-[(1-methylindol-4-yl)amino]pyrimidine-4-carboxamide

2-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-6-[(1-methylindol-4-yl)amino]pyrimidine-4-carboxamide (PubChem CID 66549864) has the molecular formula C25H25N7O2 and a molecular weight of 455.52 g/mol. Its IUPAC name is 2-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-6-[(1-methylindol-4-yl)amino]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-6-[(1-methylindol-4-yl)amino]pyrimidine-4-carboxamide
PubChem CID66549864
Molecular FormulaC25H25N7O2
Molecular Weight455.52 g/mol
Exact Mass455.21
IUPAC Name2-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-6-[(1-methylindol-4-yl)amino]pyrimidine-4-carboxamide
SMILESCOc1ccc2[nH]cc(CCNc3nc(Nc4cccc5c4ccn5C)cc(C(N)=O)n3)c2c1
InChIInChI=1S/C25H25N7O2/c1-32-11-9-17-20(4-3-5-22(17)32)29-23-13-21(24(26)33)30-25(31-23)27-10-8-15-14-28-19-7-6-16(34-2)12-18(15)19/h3-7,9,11-14,28H,8,10H2,1-2H3,(H2,26,33)(H2,27,29,30,31)
InChIKeyAWXSKTBHVQJWNC-UHFFFAOYSA-N
XLogP3.96
TPSA122.88 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 53.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 2-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-6-[(1-methylindol-4-yl)amino]pyrimidine-4-carboxamide with MolForge

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Related Compounds

2-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-N-(2-methyl-1H-indol-4-yl)pyrimidine-2,4-diamine
CID 66549488
2-dimethylphosphoryl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]aniline
CID 167890692
[6-[2-(5-methoxy-1H-indol-3-yl)ethylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 135100266
1-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrrole-2,5-diol
CID 123758816
4-amino-3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-6-methyl-1,2,4-triazin-5-one
CID 4979636
potassium;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide;hydroxide
CID 174776187
1-(2-bromophenyl)-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea
CID 17171258
N-[2-[2-[2-[[4-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]ethyl]benzamide
CID 23845047
1-benzyl-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea
CID 18947306
1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methylguanidine
CID 142888234
2-(3-methoxyphenyl)ethyl N-[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate
CID 6733827
ethyl 3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-3-oxopropanoate
CID 18794243

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-6-[(1-methylindol-4-yl)amino]pyrimidine-4-carboxamide?
The IUPAC name of 2-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-6-[(1-methylindol-4-yl)amino]pyrimidine-4-carboxamide (CID 66549864) is 2-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-6-[(1-methylindol-4-yl)amino]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-6-[(1-methylindol-4-yl)amino]pyrimidine-4-carboxamide?
The canonical SMILES for 2-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-6-[(1-methylindol-4-yl)amino]pyrimidine-4-carboxamide is COc1ccc2[nH]cc(CCNc3nc(Nc4cccc5c4ccn5C)cc(C(N)=O)n3)c2c1.
What is the InChIKey of 2-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-6-[(1-methylindol-4-yl)amino]pyrimidine-4-carboxamide?
The InChIKey is AWXSKTBHVQJWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O2/c1-32-11-9-17-20(4-3-5-22(17)32)29-23-13-21(24(26)33)30-25(31-23)27-10-8-15-14-28-19-7-6-16(34-2)12-18(15)19/h3-7,9,11-14,28H,8,10H2,1-2H3,(H2,26,33)(H2,27,29,30,31).
What are the key properties of 2-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-6-[(1-methylindol-4-yl)amino]pyrimidine-4-carboxamide?
2-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-6-[(1-methylindol-4-yl)amino]pyrimidine-4-carboxamide has a molecular weight of 455.52 g/mol, XLogP of 3.96, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-6-[(1-methylindol-4-yl)amino]pyrimidine-4-carboxamide is sourced from PubChem (CID 66549864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).