2-N-[3-(3-fluoro-1H-pyrrolo[3,2-c]pyridin-6-yl)-4-methoxyphenyl]-4-N,6-dimethylpyrimidine-2,4-diamine

C20H19FN6O — CID 146339005

IUPAC2-N-[3-(3-fluoro-1H-pyrrolo[3,2-c]pyridin-6-yl)-4-methoxyphenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
SMILESCNc1cc(C)nc(Nc2ccc(OC)c(-c3cc4[nH]cc(F)c4cn3)c2)n1
InChIInChI=1S/C20H19FN6O/c1-11-6-19(22-2)27-20(25-11)26-12-4-5-18(28-3)13(7-12)16-8-17-14(9-23-16)15(21)10-24-17/h4-10,24H,1-3H3,(H2,22,25,26,27)
InChIKeyJQPOFKHTYRNVFS-UHFFFAOYSA-N
MW378.41 g/mol
LogP4.26
Rot. Bonds5

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

2-N-[3-(3-fluoro-1H-pyrrolo[3,2-c]pyridin-6-yl)-4-methoxyphenyl]-4-N,6-dimethylpyrimidine-2,4-diamine (PubChem CID 146339005) has the molecular formula C20H19FN6O and a molecular weight of 378.41 g/mol. Its IUPAC name is 2-N-[3-(3-fluoro-1H-pyrrolo[3,2-c]pyridin-6-yl)-4-methoxyphenyl]-4-N,6-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[3-(3-fluoro-1H-pyrrolo[3,2-c]pyridin-6-yl)-4-methoxyphenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
PubChem CID146339005
Molecular FormulaC20H19FN6O
Molecular Weight378.41 g/mol
Exact Mass378.16
IUPAC Name2-N-[3-(3-fluoro-1H-pyrrolo[3,2-c]pyridin-6-yl)-4-methoxyphenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
SMILESCNc1cc(C)nc(Nc2ccc(OC)c(-c3cc4[nH]cc(F)c4cn3)c2)n1
InChIInChI=1S/C20H19FN6O/c1-11-6-19(22-2)27-20(25-11)26-12-4-5-18(28-3)13(7-12)16-8-17-14(9-23-16)15(21)10-24-17/h4-10,24H,1-3H3,(H2,22,25,26,27)
InChIKeyJQPOFKHTYRNVFS-UHFFFAOYSA-N
XLogP4.26
TPSA87.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-N-[3-(3-fluoro-1H-pyrrolo[3,2-c]pyridin-6-yl)-4-methoxyphenyl]-4-N,6-dimethylpyrimidine-2,4-diamine with MolForge

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Related Compounds

2-N-(3-furo[2,3-c]pyridin-5-yl-4-methoxyphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine
CID 146339143
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-[3-(1H-indazol-4-yl)-4-methoxyphenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 135154278
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
2-N-(3-hydrazinyl-4-methoxyphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine
CID 135154230
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
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-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 146397993
2-N-[3-[4-(aminomethyl)pyrazol-1-yl]-4-methoxyphenyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 146315861

Frequently Asked Questions

What is the IUPAC name of 2-N-[3-(3-fluoro-1H-pyrrolo[3,2-c]pyridin-6-yl)-4-methoxyphenyl]-4-N,6-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-[3-(3-fluoro-1H-pyrrolo[3,2-c]pyridin-6-yl)-4-methoxyphenyl]-4-N,6-dimethylpyrimidine-2,4-diamine (CID 146339005) is 2-N-[3-(3-fluoro-1H-pyrrolo[3,2-c]pyridin-6-yl)-4-methoxyphenyl]-4-N,6-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[3-(3-fluoro-1H-pyrrolo[3,2-c]pyridin-6-yl)-4-methoxyphenyl]-4-N,6-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[3-(3-fluoro-1H-pyrrolo[3,2-c]pyridin-6-yl)-4-methoxyphenyl]-4-N,6-dimethylpyrimidine-2,4-diamine is CNc1cc(C)nc(Nc2ccc(OC)c(-c3cc4[nH]cc(F)c4cn3)c2)n1.
What is the InChIKey of 2-N-[3-(3-fluoro-1H-pyrrolo[3,2-c]pyridin-6-yl)-4-methoxyphenyl]-4-N,6-dimethylpyrimidine-2,4-diamine?
The InChIKey is JQPOFKHTYRNVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6O/c1-11-6-19(22-2)27-20(25-11)26-12-4-5-18(28-3)13(7-12)16-8-17-14(9-23-16)15(21)10-24-17/h4-10,24H,1-3H3,(H2,22,25,26,27).
What are the key properties of 2-N-[3-(3-fluoro-1H-pyrrolo[3,2-c]pyridin-6-yl)-4-methoxyphenyl]-4-N,6-dimethylpyrimidine-2,4-diamine?
2-N-[3-(3-fluoro-1H-pyrrolo[3,2-c]pyridin-6-yl)-4-methoxyphenyl]-4-N,6-dimethylpyrimidine-2,4-diamine has a molecular weight of 378.41 g/mol, XLogP of 4.26, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-(3-fluoro-1H-pyrrolo[3,2-c]pyridin-6-yl)-4-methoxyphenyl]-4-N,6-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 146339005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).