N-(2-methoxy-4,5-dimethylphenyl)-4-(1-methylindol-3-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine

C24H23N5O — CID 153412771

IUPACN-(2-methoxy-4,5-dimethylphenyl)-4-(1-methylindol-3-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine
SMILESCOc1cc(C)c(C)cc1Nc1nc(-c2cn(C)c3ccccc23)c2[nH]ccc2n1
InChIInChI=1S/C24H23N5O/c1-14-11-19(21(30-4)12-15(14)2)27-24-26-18-9-10-25-23(18)22(28-24)17-13-29(3)20-8-6-5-7-16(17)20/h5-13,25H,1-4H3,(H,26,27,28)
InChIKeyUYOABMCOPSUOIN-UHFFFAOYSA-N
MW397.48 g/mol
LogP5.49
Rot. Bonds4

About N-(2-methoxy-4,5-dimethylphenyl)-4-(1-methylindol-3-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine

N-(2-methoxy-4,5-dimethylphenyl)-4-(1-methylindol-3-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine (PubChem CID 153412771) has the molecular formula C24H23N5O and a molecular weight of 397.48 g/mol. Its IUPAC name is N-(2-methoxy-4,5-dimethylphenyl)-4-(1-methylindol-3-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-methoxy-4,5-dimethylphenyl)-4-(1-methylindol-3-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine
PubChem CID153412771
Molecular FormulaC24H23N5O
Molecular Weight397.48 g/mol
Exact Mass397.19
IUPAC NameN-(2-methoxy-4,5-dimethylphenyl)-4-(1-methylindol-3-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine
SMILESCOc1cc(C)c(C)cc1Nc1nc(-c2cn(C)c3ccccc23)c2[nH]ccc2n1
InChIInChI=1S/C24H23N5O/c1-14-11-19(21(30-4)12-15(14)2)27-24-26-18-9-10-25-23(18)22(28-24)17-13-29(3)20-8-6-5-7-16(17)20/h5-13,25H,1-4H3,(H,26,27,28)
InChIKeyUYOABMCOPSUOIN-UHFFFAOYSA-N
XLogP5.49
TPSA67.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.48
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2-methoxy-4,5-dimethylphenyl)-4-(1-methylindol-3-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N,5-dimethyl-1-N-[4-(1-methylindol-3-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]benzene-1,4-diamine
CID 153412769
2-methyl-4-(1-methylindol-3-yl)-5H-pyrrolo[3,2-d]pyrimidine
CID 153412768
5-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-(1-methylindol-3-yl)pyrimidin-2-amine
CID 71239282
5-methoxy-4-N-[4-(1-methylindol-3-yl)pyrimidin-2-yl]benzene-1,2,4-triamine
CID 129143628
N-[2-(2,4-dimethoxy-5-nitroanilino)-4-(1-methylindol-3-yl)pyrimidin-5-yl]-2,2-dimethylpropanamide
CID 118618533
N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-(1-methylindol-3-yl)pyrimidin-2-amine;hydrochloride
CID 118704809
(2Z)-N-[4-methoxy-5-[[5-methyl-4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-(4-methylpiperazin-1-yl)phenyl]penta-2,4-dienamide
CID 167434893
5-chloro-N-[4-[3-(dimethylamino)-3-methylbut-1-ynyl]-2-methoxy-5-nitrophenyl]-4-(1-methylindol-3-yl)pyrimidin-2-amine
CID 118618162
methyl 2-[2-methoxy-4-(4-methylpiperazin-1-yl)-5-nitrosoanilino]-4-(1-methylindol-3-yl)pyrimidine-5-carboxylate
CID 155324399
3-N-[5-chloro-4-(1-methylindol-3-yl)pyrimidin-2-yl]-4-methoxy-6-(3-morpholin-4-ylpropoxy)benzene-1,3-diamine
CID 118912937
(2Z)-N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[5-methyl-4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]penta-2,4-dienamide
CID 167434894
4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-1-N-[4-(1-methylindol-3-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-2-yl]-5-nitrobenzene-1,4-diamine
CID 168741090

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-4,5-dimethylphenyl)-4-(1-methylindol-3-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine?
The IUPAC name of N-(2-methoxy-4,5-dimethylphenyl)-4-(1-methylindol-3-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine (CID 153412771) is N-(2-methoxy-4,5-dimethylphenyl)-4-(1-methylindol-3-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for N-(2-methoxy-4,5-dimethylphenyl)-4-(1-methylindol-3-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine?
The canonical SMILES for N-(2-methoxy-4,5-dimethylphenyl)-4-(1-methylindol-3-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine is COc1cc(C)c(C)cc1Nc1nc(-c2cn(C)c3ccccc23)c2[nH]ccc2n1.
What is the InChIKey of N-(2-methoxy-4,5-dimethylphenyl)-4-(1-methylindol-3-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine?
The InChIKey is UYOABMCOPSUOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O/c1-14-11-19(21(30-4)12-15(14)2)27-24-26-18-9-10-25-23(18)22(28-24)17-13-29(3)20-8-6-5-7-16(17)20/h5-13,25H,1-4H3,(H,26,27,28).
What are the key properties of N-(2-methoxy-4,5-dimethylphenyl)-4-(1-methylindol-3-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine?
N-(2-methoxy-4,5-dimethylphenyl)-4-(1-methylindol-3-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine has a molecular weight of 397.48 g/mol, XLogP of 5.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-4,5-dimethylphenyl)-4-(1-methylindol-3-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 153412771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).