6-[4-(aminomethyl)-3-fluorophenyl]-N-[2-(4-methoxy-2-methylindol-1-yl)ethyl]pyrimidin-4-amine

C23H24FN5O — CID 156759919

IUPAC6-[4-(aminomethyl)-3-fluorophenyl]-N-[2-(4-methoxy-2-methylindol-1-yl)ethyl]pyrimidin-4-amine
SMILESCOc1cccc2c1cc(C)n2CCNc1cc(-c2ccc(CN)c(F)c2)ncn1
InChIInChI=1S/C23H24FN5O/c1-15-10-18-21(4-3-5-22(18)30-2)29(15)9-8-26-23-12-20(27-14-28-23)16-6-7-17(13-25)19(24)11-16/h3-7,10-12,14H,8-9,13,25H2,1-2H3,(H,26,27,28)
InChIKeyROLBPCHFFWOTSG-UHFFFAOYSA-N
MW405.48 g/mol
LogP4.13
Rot. Bonds7

About 6-[4-(aminomethyl)-3-fluorophenyl]-N-[2-(4-methoxy-2-methylindol-1-yl)ethyl]pyrimidin-4-amine

6-[4-(aminomethyl)-3-fluorophenyl]-N-[2-(4-methoxy-2-methylindol-1-yl)ethyl]pyrimidin-4-amine (PubChem CID 156759919) has the molecular formula C23H24FN5O and a molecular weight of 405.48 g/mol. Its IUPAC name is 6-[4-(aminomethyl)-3-fluorophenyl]-N-[2-(4-methoxy-2-methylindol-1-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[4-(aminomethyl)-3-fluorophenyl]-N-[2-(4-methoxy-2-methylindol-1-yl)ethyl]pyrimidin-4-amine
PubChem CID156759919
Molecular FormulaC23H24FN5O
Molecular Weight405.48 g/mol
Exact Mass405.20
IUPAC Name6-[4-(aminomethyl)-3-fluorophenyl]-N-[2-(4-methoxy-2-methylindol-1-yl)ethyl]pyrimidin-4-amine
SMILESCOc1cccc2c1cc(C)n2CCNc1cc(-c2ccc(CN)c(F)c2)ncn1
InChIInChI=1S/C23H24FN5O/c1-15-10-18-21(4-3-5-22(18)30-2)29(15)9-8-26-23-12-20(27-14-28-23)16-6-7-17(13-25)19(24)11-16/h3-7,10-12,14H,8-9,13,25H2,1-2H3,(H,26,27,28)
InChIKeyROLBPCHFFWOTSG-UHFFFAOYSA-N
XLogP4.13
TPSA77.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[4-(aminomethyl)-3-fluorophenyl]-N-[2-(4-methoxy-2-methylindol-1-yl)ethyl]pyrimidin-4-amine with MolForge

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Related Compounds

N'-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)-N,N-dimethylethane-1,2-diamine
CID 943137
N-(3-methoxyphenyl)quinazolin-4-amine
CID 712193
N-benzyl-7-methoxyquinazolin-4-amine
CID 5328032
2,4-Disubstituted Pyrimidine 2f
CID 5329419
2-Aminoquinazoline 7
CID 5330306
2-Aminoquinazoline 8
CID 5330307
2-Aminoquinazoline 12
CID 5330311
N-[4-(3-aminopyrrolidin-1-yl)phenyl]-8-cyclopentyl-7-methoxyquinazolin-2-amine
CID 5330315
2-Aminoquinazoline 21
CID 5330319
5-[(1E)-(ethoxyimino)methyl]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine
CID 16066844
6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-[(1E)-(propoxyimino)methyl]pyrimidin-4-amine
CID 23646053
5-[(1E)-(butoxyimino)methyl]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine
CID 23646054

Frequently Asked Questions

What is the IUPAC name of 6-[4-(aminomethyl)-3-fluorophenyl]-N-[2-(4-methoxy-2-methylindol-1-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-[4-(aminomethyl)-3-fluorophenyl]-N-[2-(4-methoxy-2-methylindol-1-yl)ethyl]pyrimidin-4-amine (CID 156759919) is 6-[4-(aminomethyl)-3-fluorophenyl]-N-[2-(4-methoxy-2-methylindol-1-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-[4-(aminomethyl)-3-fluorophenyl]-N-[2-(4-methoxy-2-methylindol-1-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-[4-(aminomethyl)-3-fluorophenyl]-N-[2-(4-methoxy-2-methylindol-1-yl)ethyl]pyrimidin-4-amine is COc1cccc2c1cc(C)n2CCNc1cc(-c2ccc(CN)c(F)c2)ncn1.
What is the InChIKey of 6-[4-(aminomethyl)-3-fluorophenyl]-N-[2-(4-methoxy-2-methylindol-1-yl)ethyl]pyrimidin-4-amine?
The InChIKey is ROLBPCHFFWOTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O/c1-15-10-18-21(4-3-5-22(18)30-2)29(15)9-8-26-23-12-20(27-14-28-23)16-6-7-17(13-25)19(24)11-16/h3-7,10-12,14H,8-9,13,25H2,1-2H3,(H,26,27,28).
What are the key properties of 6-[4-(aminomethyl)-3-fluorophenyl]-N-[2-(4-methoxy-2-methylindol-1-yl)ethyl]pyrimidin-4-amine?
6-[4-(aminomethyl)-3-fluorophenyl]-N-[2-(4-methoxy-2-methylindol-1-yl)ethyl]pyrimidin-4-amine has a molecular weight of 405.48 g/mol, XLogP of 4.13, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(aminomethyl)-3-fluorophenyl]-N-[2-(4-methoxy-2-methylindol-1-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 156759919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).