6-[2-[[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine

C20H23FN6S — CID 119127231

IUPAC6-[2-[[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine
SMILESCNc1cc(N2CCCC2CNCc2csc(-c3ccc(F)cc3)n2)ncn1
InChIInChI=1S/C20H23FN6S/c1-22-18-9-19(25-13-24-18)27-8-2-3-17(27)11-23-10-16-12-28-20(26-16)14-4-6-15(21)7-5-14/h4-7,9,12-13,17,23H,2-3,8,10-11H2,1H3,(H,22,24,25)
InChIKeyWVVHAVYKSOQDFI-UHFFFAOYSA-N
MW398.51 g/mol
LogP3.54
Rot. Bonds7

About 6-[2-[[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine

6-[2-[[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine (PubChem CID 119127231) has the molecular formula C20H23FN6S and a molecular weight of 398.51 g/mol. Its IUPAC name is 6-[2-[[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[2-[[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine
PubChem CID119127231
Molecular FormulaC20H23FN6S
Molecular Weight398.51 g/mol
Exact Mass398.17
IUPAC Name6-[2-[[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine
SMILESCNc1cc(N2CCCC2CNCc2csc(-c3ccc(F)cc3)n2)ncn1
InChIInChI=1S/C20H23FN6S/c1-22-18-9-19(25-13-24-18)27-8-2-3-17(27)11-23-10-16-12-28-20(26-16)14-4-6-15(21)7-5-14/h4-7,9,12-13,17,23H,2-3,8,10-11H2,1H3,(H,22,24,25)
InChIKeyWVVHAVYKSOQDFI-UHFFFAOYSA-N
XLogP3.54
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-6-[2-[[(4-methylphenyl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 119127313
6-[2-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine
CID 119127257
6-[(2S)-2-[[(3,4-dimethoxyphenyl)methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine
CID 124554031
N-methyl-6-[2-[(1H-pyrazol-5-ylmethylamino)methyl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 119124046
N-methyl-4-[[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]methyl]benzamide
CID 119126315
6-[2-[[(3-ethoxyphenyl)methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine
CID 119127232
[1-[6-[(2-phenyl-1,3-thiazol-4-yl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133331301
6-[(2R)-2-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine
CID 95764401
6-[(2S)-2-[[(2,3-dimethoxyphenyl)methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine
CID 124554025
N-methyl-6-[(2R)-2-[[(1-methylbenzimidazol-2-yl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 129377193
[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 80795011
6-[2-[(cyclohex-3-en-1-ylmethylamino)methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine
CID 136517302

Frequently Asked Questions

What is the IUPAC name of 6-[2-[[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine?
The IUPAC name of 6-[2-[[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine (CID 119127231) is 6-[2-[[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-[2-[[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-[2-[[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine is CNc1cc(N2CCCC2CNCc2csc(-c3ccc(F)cc3)n2)ncn1.
What is the InChIKey of 6-[2-[[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine?
The InChIKey is WVVHAVYKSOQDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN6S/c1-22-18-9-19(25-13-24-18)27-8-2-3-17(27)11-23-10-16-12-28-20(26-16)14-4-6-15(21)7-5-14/h4-7,9,12-13,17,23H,2-3,8,10-11H2,1H3,(H,22,24,25).
What are the key properties of 6-[2-[[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine?
6-[2-[[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine has a molecular weight of 398.51 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine is sourced from PubChem (CID 119127231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).