1-(3-fluoro-4-methylphenyl)-N-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]ethanamine

C19H26FN5 — CID 71969184

IUPAC1-(3-fluoro-4-methylphenyl)-N-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]ethanamine
SMILESCc1ccc(C(C)NCc2cnc(N3CCN(C)CC3)nc2)cc1F
InChIInChI=1S/C19H26FN5/c1-14-4-5-17(10-18(14)20)15(2)21-11-16-12-22-19(23-13-16)25-8-6-24(3)7-9-25/h4-5,10,12-13,15,21H,6-9,11H2,1-3H3
InChIKeyUJPUTRQXDLNFAW-UHFFFAOYSA-N
MW343.45 g/mol
LogP2.53
Rot. Bonds5

About 1-(3-fluoro-4-methylphenyl)-N-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]ethanamine

1-(3-fluoro-4-methylphenyl)-N-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]ethanamine (PubChem CID 71969184) has the molecular formula C19H26FN5 and a molecular weight of 343.45 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)-N-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]ethanamine.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)-N-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]ethanamine
PubChem CID71969184
Molecular FormulaC19H26FN5
Molecular Weight343.45 g/mol
Exact Mass343.22
IUPAC Name1-(3-fluoro-4-methylphenyl)-N-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]ethanamine
SMILESCc1ccc(C(C)NCc2cnc(N3CCN(C)CC3)nc2)cc1F
InChIInChI=1S/C19H26FN5/c1-14-4-5-17(10-18(14)20)15(2)21-11-16-12-22-19(23-13-16)25-8-6-24(3)7-9-25/h4-5,10,12-13,15,21H,6-9,11H2,1-3H3
InChIKeyUJPUTRQXDLNFAW-UHFFFAOYSA-N
XLogP2.53
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(3-fluoro-4-methylphenyl)-N-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]ethanamine with MolForge

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Related Compounds

(1R)-1-(3-fluoro-4-methoxyphenyl)-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]ethanamine
CID 94193156
1-(3-fluoro-4-methylphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 80682464
1-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine;hydrochloride
CID 56799123
1-methoxy-3-methyl-N-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]butan-2-amine
CID 71849578
N-[1-(3-fluoro-4-methylphenyl)ethyl]propan-1-amine
CID 60820092
(2S)-1-(3,5-dimethylpyrazol-1-yl)-N-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]propan-2-amine
CID 97227229
N-[(3-ethoxyphenyl)methyl]-1-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]ethanamine
CID 60584518
N-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-3-(4-propan-2-ylpiperazin-1-yl)propan-1-amine
CID 124625047
1-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-N-[(5-methylfuran-2-yl)methyl]ethanamine
CID 47628205
1-(3-fluoro-4-methylphenyl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine
CID 114555942
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(3-fluoro-4-methylphenyl)ethanamine
CID 115885783
1-(3-fluoro-4-methylphenyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine
CID 83011747

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)-N-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]ethanamine?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)-N-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]ethanamine (CID 71969184) is 1-(3-fluoro-4-methylphenyl)-N-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]ethanamine.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)-N-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]ethanamine?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)-N-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]ethanamine is Cc1ccc(C(C)NCc2cnc(N3CCN(C)CC3)nc2)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)-N-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]ethanamine?
The InChIKey is UJPUTRQXDLNFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN5/c1-14-4-5-17(10-18(14)20)15(2)21-11-16-12-22-19(23-13-16)25-8-6-24(3)7-9-25/h4-5,10,12-13,15,21H,6-9,11H2,1-3H3.
What are the key properties of 1-(3-fluoro-4-methylphenyl)-N-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]ethanamine?
1-(3-fluoro-4-methylphenyl)-N-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]ethanamine has a molecular weight of 343.45 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylphenyl)-N-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]ethanamine is sourced from PubChem (CID 71969184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).