2-N-[4-methoxy-3-(3-methyl-1H-pyrrolo[2,3-c]pyridin-2-yl)phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine

C21H22N6O — CID 135154251

IUPAC2-N-[4-methoxy-3-(3-methyl-1H-pyrrolo[2,3-c]pyridin-2-yl)phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
SMILESCNc1cc(C)nc(Nc2ccc(OC)c(-c3[nH]c4cnccc4c3C)c2)n1
InChIInChI=1S/C21H22N6O/c1-12-9-19(22-3)27-21(24-12)25-14-5-6-18(28-4)16(10-14)20-13(2)15-7-8-23-11-17(15)26-20/h5-11,26H,1-4H3,(H2,22,24,25,27)
InChIKeyAZRYONWATLLNFX-UHFFFAOYSA-N
MW374.45 g/mol
LogP4.43
Rot. Bonds5

About 2-N-[4-methoxy-3-(3-methyl-1H-pyrrolo[2,3-c]pyridin-2-yl)phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine

2-N-[4-methoxy-3-(3-methyl-1H-pyrrolo[2,3-c]pyridin-2-yl)phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine (PubChem CID 135154251) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is 2-N-[4-methoxy-3-(3-methyl-1H-pyrrolo[2,3-c]pyridin-2-yl)phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[4-methoxy-3-(3-methyl-1H-pyrrolo[2,3-c]pyridin-2-yl)phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
PubChem CID135154251
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name2-N-[4-methoxy-3-(3-methyl-1H-pyrrolo[2,3-c]pyridin-2-yl)phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
SMILESCNc1cc(C)nc(Nc2ccc(OC)c(-c3[nH]c4cnccc4c3C)c2)n1
InChIInChI=1S/C21H22N6O/c1-12-9-19(22-3)27-21(24-12)25-14-5-6-18(28-4)16(10-14)20-13(2)15-7-8-23-11-17(15)26-20/h5-11,26H,1-4H3,(H2,22,24,25,27)
InChIKeyAZRYONWATLLNFX-UHFFFAOYSA-N
XLogP4.43
TPSA87.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 54.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-[4-methoxy-3-(3-methyl-1H-pyrrolo[2,3-c]pyridin-2-yl)cyclohexa-1,3-dien-1-yl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 170087663
2-N-[3-(1H-indazol-4-yl)-4-methoxyphenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 135154278
2-N-[3-(3-fluoro-1H-pyrrolo[3,2-c]pyridin-6-yl)-4-methoxyphenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 146339005
2-N-(3-hydrazinyl-4-methoxyphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine
CID 135154230
2-N-(3-furo[2,3-c]pyridin-5-yl-4-methoxyphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine
CID 146339143
2-N-[4-methoxy-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 146338924
6-[2-methoxy-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]phenyl]-1,3-dihydropyrrolo[3,2-c]pyridin-2-one
CID 146339129
2-N-[4-methoxy-3-[3-(methylamino)cyclobutyl]oxyphenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 145385464
2-N-[4-methoxy-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 146339135
2-N-[4-methoxy-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 146338952
2-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 162651371
2-N-[4-methoxy-3-[5-(methylamino)pentan-2-yl]phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 147318505

Frequently Asked Questions

What is the IUPAC name of 2-N-[4-methoxy-3-(3-methyl-1H-pyrrolo[2,3-c]pyridin-2-yl)phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-[4-methoxy-3-(3-methyl-1H-pyrrolo[2,3-c]pyridin-2-yl)phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine (CID 135154251) is 2-N-[4-methoxy-3-(3-methyl-1H-pyrrolo[2,3-c]pyridin-2-yl)phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[4-methoxy-3-(3-methyl-1H-pyrrolo[2,3-c]pyridin-2-yl)phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[4-methoxy-3-(3-methyl-1H-pyrrolo[2,3-c]pyridin-2-yl)phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine is CNc1cc(C)nc(Nc2ccc(OC)c(-c3[nH]c4cnccc4c3C)c2)n1.
What is the InChIKey of 2-N-[4-methoxy-3-(3-methyl-1H-pyrrolo[2,3-c]pyridin-2-yl)phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine?
The InChIKey is AZRYONWATLLNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O/c1-12-9-19(22-3)27-21(24-12)25-14-5-6-18(28-4)16(10-14)20-13(2)15-7-8-23-11-17(15)26-20/h5-11,26H,1-4H3,(H2,22,24,25,27).
What are the key properties of 2-N-[4-methoxy-3-(3-methyl-1H-pyrrolo[2,3-c]pyridin-2-yl)phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine?
2-N-[4-methoxy-3-(3-methyl-1H-pyrrolo[2,3-c]pyridin-2-yl)phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine has a molecular weight of 374.45 g/mol, XLogP of 4.43, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[4-methoxy-3-(3-methyl-1H-pyrrolo[2,3-c]pyridin-2-yl)phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 135154251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).